Vitas-M small molecule compound
methyl 2-[({4-[hydroxy(diphenyl)methyl]piperidin-1-yl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
Catalog ID
STK448204
SMILES COC(=O)c1c(NC(=S)N2CCC(CC2)C(c2ccccc2)(c2ccccc2)O)sc(c1c1ccccc1)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 C32H32N2O3S2 MW 556.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N2O3S2/c1-22-27(23-12-6-3-7-13-23)28(30(35)37-2)29(39-22)33-31(38)34-20-18-26(19-21-34)32(36,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,26,36H,18-21H2,1-2H3,(H,33,38)InChIKey
DKSBLXGKOACCCS-UHFFFAOYSA-NSynonyms
CC1=C(C(=C(S1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)OC)C5=CC=CC=C5
InChI=1SC32H32N2O3S2c12227(23126371323)28(30(35)372)29(3922)3331(38)34201826(192134)32(3624148491524)2516105111725h3172636H1821H212H3(H3338)
methyl2(((4(hydroxy(diphenyl)methyl)piperidin1yl)carbonothioyl)amino)5methyl4phenylthiophene3carboxylate
METHYL2(((4(HYDROXYDIPHENYLMETHYL)PIPERIDYL)THIOXOMETHYL)AMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
methyl2((4(hydroxy(diphenyl)methyl)piperidine1carbothioyl)amino)5methyl4phenylthiophene3carboxylate
MFCD04137847
ZINC000097948197
ZINC97948197
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