Vitas-M small molecule compound
ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-{[(4-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK011968
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])sc(c1C)C(=O)Nc1cccc(c1C)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 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)25-17-7-5-6-16(24)12(17)2)34-22(18)26-20(28)14-8-10-15(11-9-14)27(31)32/h5-11H,4H2,1-3H3,(H,25,29)(H,26,28)InChIKey
HKAVXJXHMCFVQZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C(=CC=C2)Cl)C)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(c1C)Cl
ETHYL5((3CHLORO2METHYLPHENYL)CARBAMOYL)4METHYL2(((4NITROPHENYL)CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5((3CHLORO2METHYLPHENYL)CARBAMOYL)4METHYL2((4NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5(N(3CHLORO2METHYLPHENYL)CARBAMOYL)4METHYL2((4NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC23H20ClN3O6Sc143323(30)1813(3)19(21(29)251775616(24)12(17)2)3422(18)2620(28)1481015(11914)27(31)32h511H4H213H3(H2529)(H2628)
MFCD02627444
STK011968
ZINC000002772132
ZINC02772132
ZINC2772132
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