Vitas-M small molecule compound

methyl 2-{[(6-chloro-2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate

Catalog ID
STK428859
SMILES COC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)c1cc2cc(Cl)ccc2oc1=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 C23H16ClNO5S MW 453.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClNO5S/c1-12-3-5-13(6-4-12)17-11-31-21(19(17)23(28)29-2)25-20(26)16-10-14-9-15(24)7-8-18(14)30-22(16)27/h3-11H,1-2H3,(H,25,26)
InChIKey
ZDPVIDJHYBBZPD-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=CC(=C4)Cl)OC3=O
InChI=1SC23H16ClNO5Sc1123513(6412)17113121(19(17)23(28)292)2520(26)161014915(24)7818(14)3022(16)27h311H12H3(H2526)
METHYL2(((6CHLORO2OXO2HCHROMEN3YL)CARBONYL)AMINO)4(4METHYLPHENYL)3THIOPHENECARBOXYLATE
methyl2(((6chloro2oxo2Hchromen3yl)carbonyl)amino)4(4methylphenyl)thiophene3carboxylate
METHYL2((6CHLORO2OXOCHROMEN3YL)CARBONYLAMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
METHYL2((6CHLORO2OXOCHROMENE3CARBONYL)AMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
MFCD03233330
ZINC000002789445
ZINC02789445
ZINC2789445

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Available files

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