Vitas-M small molecule compound

methyl 2-{[(3,5-dimethylpiperidin-1-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate

Catalog ID
STK438619
SMILES COC(=O)c1cc(sc1NC(=S)N1CC(C)CC(C1)C)c1ccccc1

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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/c1-13-9-14(2)12-22(11-13)20(25)21-18-16(19(23)24-3)10-17(26-18)15-7-5-4-6-8-15/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,21,25)
InChIKey
ZSPYWLCKTUGBGZ-UHFFFAOYSA-N
Synonyms

CC1CC(CN(C1)C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C
InChI=1SC20H24N2O2S2c113914(2)1222(1113)20(25)211816(19(23)243)1017(2618)157546815h48101314H91112H213H3(H2125)
methyl2(((35dimethylpiperidin1yl)carbonothioyl)amino)5phenylthiophene3carboxylate
METHYL2(((35DIMETHYLPIPERIDYL)THIOXOMETHYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
METHYL2((35DIMETHYLPIPERIDINE1CARBOTHIOYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
MFCD03945563
ZINC000006201507
ZINC000017079378

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Available files

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