Vitas-M small molecule compound
4-({(E)-[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-nitrobenzoic acid
Catalog ID
STL295198
SMILES Clc1cccc(c1)N1N=C(/C(=C\Nc2ccc(cc2[N+](=O)[O-])C(=O)O)/C1=O)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 C18H13ClN4O5 MW 400.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN4O5/c1-10-14(17(24)22(21-10)13-4-2-3-12(19)8-13)9-20-15-6-5-11(18(25)26)7-16(15)23(27)28/h2-9,20H,1H3,(H,25,26)/b14-9+InChIKey
GECHTFRVUIZVIP-NTEUORMPSA-NSynonyms
4(((E)(1(3chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)3nitrobenzoicacid
4(((E)(1(3chlorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)3nitrobenzoicacid
CC1=NN(C(=O)C1=CNC2=C(C=C(C=C2)C(=O)O)(N+)(=O)(O))C3=CC(=CC=C3)Cl
Clc1cccc(c1)N1N=C(C(=CNc2ccc(cc2(N+)(=O)(O))C(=O)O)C1=O)C
InChI=1SC18H13ClN4O5c11014(17(24)22(2110)1342312(19)813)920156511(18(25)26)716(15)23(27)28h2920H1H3(H2526)b149+
MFCD28032912
ZINC000101150114
ZINC101150114
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