Vitas-M small molecule compound

methyl 2-[(2,3-dihydro-1H-indol-1-ylcarbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate

Catalog ID
STK333748
SMILES COC(=O)c1c(sc(c1c1ccccc1)C)NC(=S)N1CCc2c1cccc2

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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 C22H20N2O2S2 MW 408.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O2S2/c1-14-18(16-9-4-3-5-10-16)19(21(25)26-2)20(28-14)23-22(27)24-13-12-15-8-6-7-11-17(15)24/h3-11H,12-13H2,1-2H3,(H,23,27)
InChIKey
NOLDQJLZWGNMKQ-UHFFFAOYSA-N
Synonyms

CC1=C(C(=C(S1)NC(=S)N2CCC3=CC=CC=C32)C(=O)OC)C4=CC=CC=C4
InChI=1SC22H20N2O2S2c11418(1694351016)19(21(25)262)20(2814)2322(27)241312158671117(15)24h311H1213H212H3(H2327)
methyl2((23dihydro1Hindol1ylcarbonothioyl)amino)5methyl4phenylthiophene3carboxylate
METHYL2((INDOLINYLTHIOXOMETHYL)AMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
METHYL2(23DIHYDROINDOLE1CARBOTHIOYLAMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
MFCD03944420
ZINC000006571244
ZINC06571244
ZINC6571244

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Available files

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