Vitas-M small molecule compound
ethyl 4-ethyl-2-[({4-[hydroxy(diphenyl)methyl]piperidin-1-yl}carbonothioyl)amino]-5-methylthiophene-3-carboxylate
Catalog ID
STK448146
SMILES CCOC(=O)c1c(NC(=S)N2CCC(CC2)C(c2ccccc2)(c2ccccc2)O)sc(c1CC)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 C29H34N2O3S2 MW 522.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O3S2/c1-4-24-20(3)36-26(25(24)27(32)34-5-2)30-28(35)31-18-16-23(17-19-31)29(33,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,23,33H,4-5,16-19H2,1-3H3,(H,30,35)InChIKey
VRDTUWMELKCSBL-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OCC)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C
ethyl4ethyl2(((4(hydroxy(diphenyl)methyl)piperidin1yl)carbonothioyl)amino)5methylthiophene3carboxylate
ETHYL4ETHYL2(((4(HYDROXYDIPHENYLMETHYL)PIPERIDYL)THIOXOMETHYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
ethyl4ethyl2((4(hydroxy(diphenyl)methyl)piperidine1carbothioyl)amino)5methylthiophene3carboxylate
InChI=1SC29H34N2O3S2c142420(3)3626(25(24)27(32)3452)3028(35)31181623(171931)29(3321128691321)2214107111522h6152333H451619H213H3(H3035)
MFCD04138151
ZINC000020191556
ZINC20191556
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