Vitas-M small molecule compound
methyl 5-(dimethylcarbamoyl)-2-[({4-[hydroxy(diphenyl)methyl]piperidin-1-yl}carbonothioyl)amino]-4-methylthiophene-3-carboxylate
Catalog ID
STK448201
SMILES COC(=O)c1c(NC(=S)N2CCC(CC2)C(c2ccccc2)(c2ccccc2)O)sc(c1C)C(=O)N(C)C
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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 C29H33N3O4S2 MW 551.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O4S2/c1-19-23(27(34)36-4)25(38-24(19)26(33)31(2)3)30-28(37)32-17-15-22(16-18-32)29(35,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,22,35H,15-18H2,1-4H3,(H,30,37)InChIKey
GWMHAXKNOIEUSC-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)N(C)C
InChI=1SC29H33N3O4S2c11923(27(34)364)25(3824(19)26(33)31(2)3)3028(37)32171522(161832)29(3520117581220)211396101421h5142235H1518H214H3(H3037)
methyl5(dimethylcarbamoyl)2(((4(hydroxy(diphenyl)methyl)piperidin1yl)carbonothioyl)amino)4methylthiophene3carboxylate
methyl5(dimethylcarbamoyl)2((4(hydroxy(diphenyl)methyl)piperidine1carbothioyl)amino)4methylthiophene3carboxylate
METHYL5(NNDIMETHYLCARBAMOYL)2(((4(HYDROXYDIPHENYLMETHYL)PIPERIDYL)THIOXOMETHYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD04137810
ZINC000097948079
ZINC97948079
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