Vitas-M small molecule compound

ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-{[(4-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STK363309
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])sc(c1C)C(=O)Nc1cccc(c1)Cl

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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 C22H18ClN3O6S MW 487.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O6S/c1-3-32-22(29)17-12(2)18(20(28)24-15-6-4-5-14(23)11-15)33-21(17)25-19(27)13-7-9-16(10-8-13)26(30)31/h4-11H,3H2,1-2H3,(H,24,28)(H,25,27)
InChIKey
GGOGTGUZBFNUAC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)Cl)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(cc2)(N+)(=O)(O))sc(c1C)C(=O)Nc1cccc(c1)Cl
ETHYL5((3CHLOROANILINO)CARBONYL)2((4NITROBENZOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5((3CHLOROPHENYL)CARBAMOYL)4METHYL2(((4NITROPHENYL)CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5((3CHLOROPHENYL)CARBAMOYL)4METHYL2((4NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5(N(3CHLOROPHENYL)CARBAMOYL)4METHYL2((4NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H18ClN3O6Sc133222(29)1712(2)18(20(28)241564514(23)1115)3321(17)2519(27)137916(10813)26(30)31h411H3H212H3(H2428)(H2527)
MFCD01133746
ZINC000002059288
ZINC02059288
ZINC2059288

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Available files

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