Vitas-M small molecule compound
ethyl 2-{[(1-benzylpiperidin-4-yl)carbamothioyl]amino}-5-methyl-4-phenylthiophene-3-carboxylate
Catalog ID
STK458249
SMILES CCOC(=O)c1c(NC(=S)NC2CCN(CC2)Cc2ccccc2)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 C27H31N3O2S2 MW 493.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O2S2/c1-3-32-26(31)24-23(21-12-8-5-9-13-21)19(2)34-25(24)29-27(33)28-22-14-16-30(17-15-22)18-20-10-6-4-7-11-20/h4-13,22H,3,14-18H2,1-2H3,(H2,28,29,33)InChIKey
XTETUPUWAPAZBM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3CCN(CC3)CC4=CC=CC=C4
ethyl2(((1benzylpiperidin4yl)carbamothioyl)amino)5methyl4phenylthiophene3carboxylate
ETHYL2((1BENZYLPIPERIDIN4YL)CARBAMOTHIOYLAMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
ETHYL5METHYL4PHENYL2((((1BENZYL(4PIPERIDYL))AMINO)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC27H31N3O2S2c133226(31)2423(21128591321)19(2)3425(24)2927(33)2822141630(171522)1820106471120h41322H31418H212H3(H2282933)
MFCD05069311
ZINC000016345504
ZINC16345504
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