VA-111913 tosylate | CAS#1334519-42-4

MedKoo Cat#: 125368 | Name: VA-111913 tosylate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

VA-111913 is a vasopressin receptor antagonist potentially for the treatment of dysmenorrhea.

Chemical Structure

VA-111913 tosylate

CAS#1334519-42-4 (tosylate)

Theoretical Analysis

MedKoo Cat#: 125368

Name: VA-111913 tosylate

CAS#: 1334519-42-4 (tosylate)

Chemical Formula: C30H29ClFN5O5S

Exact Mass: 625.1600

Molecular Weight: 626.10

Elemental Analysis: C, 57.55; H, 4.67; Cl, 5.66; F, 3.03; N, 11.19; O, 12.78; S, 5.12

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

1334519-42-4 (tosylate) 877856-17-2 (free base)

Synonym

VA-111913 tosylate; 813T1H5KZB; UNII-813T1H5KZB; 1334519-42-4;

IUPAC/Chemical Name

N-(4-(8-chloro-1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)-2-fluorobenzyl)cyclopropanecarboxamide 4-methylbenzenesulfonate

InChi Key

DMHLXBPDTVZRQU-UHFFFAOYSA-N

InChi Code

InChI=1S/C23H21ClFN5O2.C7H8O3S/c1-29-21-16(11-27-29)12-30(20-7-6-17(24)9-19(20)28-21)23(32)14-4-5-15(18(25)8-14)10-26-22(31)13-2-3-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,11,13,28H,2-3,10,12H2,1H3,(H,26,31);2-5H,1H3,(H,8,9,10)

SMILES Code

CC1=CC=C(C=C1)S(O)(=O)=O.CN2N=CC3=C2NC4=CC(Cl)=CC=C4N(C3)C(=O)C5=CC=C(CNC(=O)C6CC6)C(F)=C5

Appearance

To be determined

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).

Solubility

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 626.10 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.