Vitas-M small molecule compound

methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STK420061
SMILES COC(=O)c1c(sc(c1C)C(=O)Nc1ccc(cc1)Cl)NC(=O)c1cc2ccccc2oc1=O

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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 C24H17ClN2O6S MW 496.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClN2O6S/c1-12-18(24(31)32-2)22(34-19(12)21(29)26-15-9-7-14(25)8-10-15)27-20(28)16-11-13-5-3-4-6-17(13)33-23(16)30/h3-11H,1-2H3,(H,26,29)(H,27,28)
InChIKey
OPKKTFZDUKBZKB-UHFFFAOYSA-N
Synonyms
444926-19-6
444926196
CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)NC4=CC=C(C=C4)Cl
InChI=1SC24H17ClN2O6Sc11218(24(31)322)22(3419(12)21(29)26159714(25)81015)2720(28)161113534617(13)3323(16)30h311H12H3(H2629)(H2728)
METHYL5((4CHLOROANILINO)CARBONYL)4METHYL2(((2OXO2HCHROMEN3YL)CARBONYL)AMINO)3THIOPHENECARBOXYLATE
methyl5((4chlorophenyl)carbamoyl)4methyl2(((2oxo2Hchromen3yl)carbonyl)amino)thiophene3carboxylate
METHYL5((4CHLOROPHENYL)CARBAMOYL)4METHYL2((2OXOCHROMENE3CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD02372473
ZINC000000667390
ZINC00667390
ZINC667390

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Available files

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