Vitas-M small molecule compound
methyl 2-({[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK228660
SMILES COC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccccc2OC)sc2c1CCC2
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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 C20H20N2O4S2 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4S2/c1-25-14-8-4-3-6-12(14)10-11-16(23)21-20(27)22-18-17(19(24)26-2)13-7-5-9-15(13)28-18/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H2,21,22,23,27)/b11-10+InChIKey
NVLCLLMKSRHUEQ-ZHACJKMWSA-NSynonyms
COC(=O)c1c(NC(=S)NC(=O)C=Cc2ccccc2OC)sc2c1CCC2
COC1=CC=CC=C1C=CC(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC
InChI=1SC20H20N2O4S2c12514843612(14)101116(23)2120(27)221817(19(24)262)1375915(13)2818h34681011H579H212H3(H221222327)b1110+
METHYL2((((2E)3(2METHOXYPHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2(((E)3(2METHOXYPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD04105958
ZINC000004734402
ZINC04734402
ZINC4734402
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