Vitas-M small molecule compound
ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-4-methyl-2-{[(3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK025731
SMILES CCOC(=O)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])sc(c1C)C(=O)Nc1ccc(c(c1)Cl)C
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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 C23H20ClN3O6S MW 501.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O6S/c1-4-33-23(30)18-13(3)19(21(29)25-15-9-8-12(2)17(24)11-15)34-22(18)26-20(28)14-6-5-7-16(10-14)27(31)32/h5-11H,4H2,1-3H3,(H,25,29)(H,26,28)InChIKey
BEQRKOLDJXPGEH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=C(C=C2)C)Cl)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2cccc(c2)(N+)(=O)(O))sc(c1C)C(=O)Nc1ccc(c(c1)Cl)C
ETHYL5((3CHLORO4METHYLPHENYL)CARBAMOYL)4METHYL2(((3NITROPHENYL)CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5((3CHLORO4METHYLPHENYL)CARBAMOYL)4METHYL2((3NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5(N(3CHLORO4METHYLPHENYL)CARBAMOYL)4METHYL2((3NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC23H20ClN3O6Sc143323(30)1813(3)19(21(29)25159812(2)17(24)1115)3422(18)2620(28)1465716(1014)27(31)32h511H4H213H3(H2529)(H2628)
MFCD02627457
STK025731
ZINC000002735281
ZINC02735281
ZINC2735281
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