Vitas-M small molecule compound
methyl 2-{[(2E)-3-(4-methylphenyl)prop-2-enoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK419710
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C)sc2c1CCCCCC2
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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 C22H25NO3S MW 383.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO3S/c1-15-9-11-16(12-10-15)13-14-19(24)23-21-20(22(25)26-2)17-7-5-3-4-6-8-18(17)27-21/h9-14H,3-8H2,1-2H3,(H,23,24)/b14-13+InChIKey
HFYGQPXZSQCOHG-BUHFOSPRSA-NSynonyms
445288-22-2445288222
CC1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC
COC(=O)c1c(NC(=O)C=Cc2ccc(cc2)C)sc2c1CCCCCC2
InChI=1SC22H25NO3Sc11591116(121015)131419(24)232120(22(25)262)1775346818(17)2721h914H38H212H3(H2324)b1413+
methyl2(((2E)3(4methylphenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(((E)3(4methylphenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD02371896
ZINC000002087467
ZINC02087467
ZINC2087467
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