Vitas-M small molecule compound
(4Z)-4-{2-[(4-chlorobenzyl)oxy]-5-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK385703
SMILES Clc1ccc(cc1)COc1ccc(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)C)[N+](=O)[O-]
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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 C24H18ClN3O4 MW 447.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClN3O4/c1-16-22(24(29)27(26-16)20-5-3-2-4-6-20)14-18-13-21(28(30)31)11-12-23(18)32-15-17-7-9-19(25)10-8-17/h2-14H,15H2,1H3/b22-14-InChIKey
NIQKTNDNVGZKMI-HMAPJEAMSA-NSynonyms
(4Z)4((2((4CHLOROPHENYL)METHOXY)5NITROPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4Z)4(2((4CHLOROBENZYL)OXY)5NITROBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)(N+)(=O)(O))OCC3=CC=C(C=C3)Cl)C4=CC=CC=C4
Clc1ccc(cc1)COc1ccc(cc1C=C1C(=NN(C1=O)c1ccccc1)C)(N+)(=O)(O)
InChI=1SC24H18ClN3O4c11622(24(29)27(2616)205324620)14181321(28(30)31)111223(18)3215177919(25)10817h214H15H21H3b2214
MFCD11853413
ZINC000016185206
ZINC16185206
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