Vitas-M small molecule compound

ethyl 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-[(phenylacetyl)amino]thiophene-3-carboxylate

Catalog ID
STK363348
SMILES CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc(c1C)C(=O)Nc1cccc(c1)[N+](=O)[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 C23H21N3O6S MW 467.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O6S/c1-3-32-23(29)19-14(2)20(21(28)24-16-10-7-11-17(13-16)26(30)31)33-22(19)25-18(27)12-15-8-5-4-6-9-15/h4-11,13H,3,12H2,1-2H3,(H,24,28)(H,25,27)
InChIKey
XRHQVCGYZJHUHX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)(N+)(=O)(O))NC(=O)CC3=CC=CC=C3
CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc(c1C)C(=O)Nc1cccc(c1)(N+)(=O)(O)
ETHYL4METHYL5((3NITROPHENYL)CARBAMOYL)2((2PHENYLACETYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL4METHYL5((3NITROPHENYL)CARBAMOYL)2((PHENYLACETYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL4METHYL5((3NITROPHENYL)CARBAMOYL)2(2PHENYLACETAMIDO)THIOPHENE3CARBOXYLATE
ETHYL4METHYL5(N(3NITROPHENYL)CARBAMOYL)2(2PHENYLACETYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC23H21N3O6Sc133223(29)1914(2)20(21(28)24161071117(1316)26(30)31)3322(19)2518(27)12158546915h41113H312H212H3(H2428)(H2527)
MFCD01151555
ZINC000004150490
ZINC04150490
ZINC4150490

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Available files

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