Vitas-M small molecule compound

methyl 2-{[(4-benzylpiperidin-1-yl)carbonothioyl]amino}-5-methylthiophene-3-carboxylate

Catalog ID
STK435814
SMILES COC(=O)c1cc(sc1NC(=S)N1CCC(CC1)Cc1ccccc1)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 C20H24N2O2S2 MW 388.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O2S2/c1-14-12-17(19(23)24-2)18(26-14)21-20(25)22-10-8-16(9-11-22)13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3,(H,21,25)
InChIKey
HODIGLSPISXPJD-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(S1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3)C(=O)OC
InChI=1SC20H24N2O2S2c1141217(19(23)242)18(2614)2120(25)2210816(91122)13156435715h371216H81113H212H3(H2125)
methyl2(((4benzylpiperidin1yl)carbonothioyl)amino)5methylthiophene3carboxylate
METHYL2((4BENZYLPIPERIDINE1CARBOTHIOYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
METHYL5METHYL2(((4BENZYLPIPERIDYL)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD03944162
ZINC000006825574
ZINC06825574
ZINC6825574

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Available files

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