Vitas-M small molecule compound

ethyl 2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate

Catalog ID
STK008439
SMILES CCOC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)sc(c1C)C(=O)Nc1cc(ccc1Cl)C(F)(F)F

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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 C23H16Cl2F3N3O6S MW 590.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16Cl2F3N3O6S/c1-3-37-22(34)17-10(2)18(20(33)29-15-9-12(23(26,27)28)5-7-13(15)24)38-21(17)30-19(32)11-4-6-14(25)16(8-11)31(35)36/h4-9H,3H2,1-2H3,(H,29,33)(H,30,32)
InChIKey
JWIJPKGDQGUNPG-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))Cl)sc(c1C)C(=O)Nc1cc(ccc1Cl)C(F)(F)F
ETHYL2(((4CHLORO3NITROPHENYL)CARBONYL)AMINO)5((2CHLORO5(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((4CHLORO3NITROBENZOYL)AMINO)5((2CHLORO5(TRIFLUOROMETHYL)ANILINO)CARBONYL)4METHYL3THIOPHENECARBOXYLATE
ETHYL2((4CHLORO3NITROBENZOYL)AMINO)5((2CHLORO5(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((4CHLORO3NITROPHENYL)CARBONYLAMINO)5(N(2CHLORO5(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC23H16Cl2F3N3O6Sc133722(34)1710(2)18(20(33)2915912(23(2627)28)5713(15)24)3821(17)3019(32)114614(25)16(811)31(35)36h49H3H212H3(H2933)(H3032)
MFCD01874243
STK008439
ZINC000008426518
ZINC08426518
ZINC8426518

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Available files

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