Vitas-M small molecule compound

methyl 3-chloro-6-{[(2-methyl-2,3-dihydro-1H-indol-1-yl)carbonothioyl]amino}-1-benzothiophene-2-carboxylate

Catalog ID
STK443489
SMILES COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)N1C(C)Cc2c1cccc2

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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 C20H17ClN2O2S2 MW 416.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O2S2/c1-11-9-12-5-3-4-6-15(12)23(11)20(26)22-13-7-8-14-16(10-13)27-18(17(14)21)19(24)25-2/h3-8,10-11H,9H2,1-2H3,(H,22,26)
InChIKey
YQOFCIOLAPSPJX-UHFFFAOYSA-N
Synonyms

CC1CC2=CC=CC=C2N1C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl
InChI=1SC20H17ClN2O2S2c111912534615(12)23(11)20(26)2213781416(1013)2718(17(14)21)19(24)252h381011H9H212H3(H2226)
METHYL3CHLORO6((((2R)2METHYL23DIHYDRO1HINDOL1YL)CARBOTHIOYL)AMINO)1BENZOTHIOPHENE2CARBOXYLATE
methyl3chloro6(((2methyl23dihydro1Hindol1yl)carbonothioyl)amino)1benzothiophene2carboxylate
METHYL3CHLORO6(((2METHYLINDOLINYL)THIOXOMETHYL)AMINO)BENZO(B)THIOPHENE2CARBOXYLATE
METHYL3CHLORO6((2METHYL23DIHYDROINDOLE1CARBOTHIOYL)AMINO)1BENZOTHIOPHENE2CARBOXYLATE
MFCD04054772
ZINC000002857629
ZINC000002857630

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Available files

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