Vitas-M small molecule compound
2-{[(2E)-3-(2-chlorophenyl)prop-2-enoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Catalog ID
STK438325
SMILES O=C(Nc1sc2c(c1C(=O)N)CCCCCC2)/C=C/c1ccccc1Cl
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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 C20H21ClN2O2S MW 388.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O2S/c21-15-9-6-5-7-13(15)11-12-17(24)23-20-18(19(22)25)14-8-3-1-2-4-10-16(14)26-20/h5-7,9,11-12H,1-4,8,10H2,(H2,22,25)(H,23,24)/b12-11+InChIKey
YPUMJSFWUGEOFL-VAWYXSNFSA-NSynonyms
2(((2E)3(2chlorophenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
2(((E)3(2chlorophenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
C1CCCC2=C(CC1)C(=C(S2)NC(=O)C=CC3=CC=CC=C3Cl)C(=O)N
InChI=1SC20H21ClN2O2Sc2115965713(15)111217(24)232018(19(22)25)14831241016(14)2620h5791112H14810H2(H22225)(H2324)b1211+
MFCD03384517
O=C(Nc1sc2c(c1C(=O)N)CCCCCC2)C=Cc1ccccc1Cl
ZINC000000656860
ZINC00656860
ZINC656860
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