Vitas-M small molecule compound

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

Catalog ID
STK451939
SMILES COC(=O)c1c(sc(c1c1ccccc1)C)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 C23H17NO5S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17NO5S/c1-13-18(14-8-4-3-5-9-14)19(23(27)28-2)21(30-13)24-20(25)16-12-15-10-6-7-11-17(15)29-22(16)26/h3-12H,1-2H3,(H,24,25)
InChIKey
YBGXLSMUBVDVIW-UHFFFAOYSA-N
Synonyms

CC1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)OC)C4=CC=CC=C4
InChI=1SC23H17NO5Sc11318(148435914)19(23(27)282)21(3013)2420(25)16121510671117(15)2922(16)26h312H12H3(H2425)
methyl5methyl2(((2oxo2Hchromen3yl)carbonyl)amino)4phenylthiophene3carboxylate
METHYL5METHYL2((2OXOCHROMEN3YL)CARBONYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
METHYL5METHYL2((2OXOCHROMENE3CARBONYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
MFCD02607601
ZINC000000689171
ZINC00689171
ZINC689171

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Available files

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