Vitas-M small molecule compound
methyl 2-({[(2-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK328931
SMILES COC(=O)c1c(NC(=S)NC(=O)c2ccccc2C)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 C21H24N2O3S2 MW 416.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3S2/c1-13-9-7-8-10-14(13)18(24)22-21(27)23-19-17(20(25)26-2)15-11-5-3-4-6-12-16(15)28-19/h7-10H,3-6,11-12H2,1-2H3,(H2,22,23,24,27)InChIKey
OCAHVQFYMXBQRU-UHFFFAOYSA-NSynonyms
634175-54-5634175545
CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC
InChI=1SC21H24N2O3S2c1139781014(13)18(24)2221(27)231917(20(25)262)151153461216(15)2819h710H361112H212H3(H222232427)
methyl2((((2methylphenyl)carbonyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2methylbenzoyl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD03820281
ZINC000004615651
ZINC04615651
ZINC4615651
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