Vitas-M small molecule compound

dimethyl 2-[({4-[hydroxy(diphenyl)methyl]piperidin-1-yl}carbonothioyl)amino]benzene-1,4-dicarboxylate

Catalog ID
STK206944
SMILES COC(=O)c1ccc(cc1NC(=S)N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)C(=O)OC

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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 C29H30N2O5S MW 518.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O5S/c1-35-26(32)20-13-14-24(27(33)36-2)25(19-20)30-28(37)31-17-15-23(16-18-31)29(34,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,23,34H,15-18H2,1-2H3,(H,30,37)
InChIKey
JTLTUZPCWDKXBV-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
DIMETHYL2(((4(HYDROXY(DIPHENYL)METHYL)PIPERIDIN1YL)CARBONOTHIOYL)AMINO)BENZENE14DICARBOXYLATE
DIMETHYL2((4(HYDROXY(DIPHENYL)METHYL)PIPERIDINE1CARBOTHIOYL)AMINO)BENZENE14DICARBOXYLATE
InChI=1SC29H30N2O5Sc13526(32)20131424(27(33)362)25(1920)3028(37)31171523(161831)29(342195361021)22117481222h314192334H1518H212H3(H3037)
METHYL3(((4(HYDROXYDIPHENYLMETHYL)PIPERIDYL)THIOXOMETHYL)AMINO)4(METHOXYCARBONYL)BENZOATE
MFCD06005682
ZINC000009972197
ZINC09972197
ZINC9972197

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.