Vitas-M small molecule compound
ethyl 4-(4-fluorophenyl)-5-methyl-2-{[(4-methyl-3,5-dinitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK316636
SMILES CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])c(c(c2)[N+](=O)[O-])C)sc(c1c1ccc(cc1)F)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 C22H18FN3O7S MW 487.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN3O7S/c1-4-33-22(28)19-18(13-5-7-15(23)8-6-13)12(3)34-21(19)24-20(27)14-9-16(25(29)30)11(2)17(10-14)26(31)32/h5-10H,4H2,1-3H3,(H,24,27)InChIKey
PMWHOUAHVIFYHB-UHFFFAOYSA-NSynonyms
445014-46-0445014460
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=O)C3=CC(=C(C(=C3)(N+)(=O)(O))C)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2cc((N+)(=O)(O))c(c(c2)(N+)(=O)(O))C)sc(c1c1ccc(cc1)F)C
ETHYL2((35BISNITRO4METHYLBENZOYL)AMINO)4(4FLUOROPHENYL)5METHYLTHIOPHENE3CARBOXYLATE
ethyl4(4fluorophenyl)5methyl2(((4methyl35dinitrophenyl)carbonyl)amino)thiophene3carboxylate
ETHYL4(4FLUOROPHENYL)5METHYL2((4METHYL35DINITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H18FN3O7Sc143322(28)1918(135715(23)8613)12(3)3421(19)2420(27)14916(25(29)30)11(2)17(1014)26(31)32h510H4H213H3(H2427)
MFCD02607108
ZINC000002102975
ZINC02102975
ZINC2102975
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