Vitas-M small molecule compound

2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

Catalog ID
STK446804
SMILES COc1ccc(cc1OC)/C=C/C(=O)Nc1sc2c(c1C(=O)N)CCCCCC2

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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 C22H26N2O4S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S/c1-27-16-11-9-14(13-17(16)28-2)10-12-19(25)24-22-20(21(23)26)15-7-5-3-4-6-8-18(15)29-22/h9-13H,3-8H2,1-2H3,(H2,23,26)(H,24,25)/b12-10+
InChIKey
OYXAOOXKPYUGMN-ZRDIBKRKSA-N
Synonyms

2(((2E)3(34dimethoxyphenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
2(((E)3(34dimethoxyphenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)N)OC
COc1ccc(cc1OC)C=CC(=O)Nc1sc2c(c1C(=O)N)CCCCCC2
InChI=1SC22H26N2O4Sc1271611914(1317(16)282)101219(25)242220(21(23)26)1575346818(15)2922h913H38H212H3(H22326)(H2425)b1210+
MFCD01349596
ZINC000000688833
ZINC00688833
ZINC688833

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Available files

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