Vitas-M small molecule compound
methyl 2-[({4-[hydroxy(diphenyl)methyl]piperidin-1-yl}carbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK448206
SMILES COC(=O)c1c(NC(=S)N2CCC(CC2)C(c2ccccc2)(c2ccccc2)O)sc2c1CCCCC2
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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 C30H34N2O3S2 MW 534.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O3S2/c1-35-28(33)26-24-15-9-4-10-16-25(24)37-27(26)31-29(36)32-19-17-23(18-20-32)30(34,21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-3,5-8,11-14,23,34H,4,9-10,15-20H2,1H3,(H,31,36)InChIKey
FFQRBHHWBAUQIF-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
InChI=1SC30H34N2O3S2c13528(33)26241594101625(24)3727(26)3129(36)32191723(182032)30(3421115261221)22137381422h235811142334H49101520H21H3(H3136)
methyl2(((4(hydroxy(diphenyl)methyl)piperidin1yl)carbonothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((4(hydroxy(diphenyl)methyl)piperidine1carbothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD04137658
ZINC000097945702
ZINC97945702
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