Vitas-M small molecule compound

3-[(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Catalog ID
STK451973
SMILES N#Cc1c(NC(=O)C2C3CCC(C2C(=O)O)C3)sc2c1CCCCCCCCCC2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H32N2O3S MW 428.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N2O3S/c25-14-18-17-9-7-5-3-1-2-4-6-8-10-19(17)30-23(18)26-22(27)20-15-11-12-16(13-15)21(20)24(28)29/h15-16,20-21H,1-13H2,(H,26,27)(H,28,29)
InChIKey
CPTZNPORQSWBKT-UHFFFAOYSA-N
Synonyms

2((3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)carbamoyl)bicyclo(221)heptane3carboxylicacid
3((3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
C1CCCCCC2=C(CCCC1)C(=C(S2)NC(=O)C3C4CCC(C4)C3C(=O)O)C#N
InChI=1SC24H32N2O3Sc251418179753124681019(17)3023(18)2622(27)2015111216(1315)21(20)24(28)29h15162021H113H2(H2627)(H2829)
MFCD02255581
ZINC000100926210
ZINC000239287332

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Available files

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