Vitas-M small molecule compound
(4Z)-4-[4-(hexyloxy)benzylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK756427
SMILES CCCCCCOc1ccc(cc1)/C=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
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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 C28H27N3O4 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O4/c1-2-3-4-8-19-35-25-17-11-21(12-18-25)20-26-27(22-9-6-5-7-10-22)29-30(28(26)32)23-13-15-24(16-14-23)31(33)34/h5-7,9-18,20H,2-4,8,19H2,1H3/b26-20-InChIKey
ZNMOATMWDRHHSI-QOMWVZHYSA-NSynonyms
(4Z)4((4HEXOXYPHENYL)METHYLIDENE)2(4NITROPHENYL)5PHENYLPYRAZOL3ONE
(4Z)4(4(hexyloxy)benzylidene)2(4nitrophenyl)5phenyl24dihydro3Hpyrazol3one
4(4(HEXYLOXY)BENZYLIDENE)2(4NITROPHENYL)5PHENYL24DIHYDRO3HPYRAZOL3ONE
CCCCCCOC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4
CCCCCCOc1ccc(cc1)C=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))c1ccccc1
InChI=1SC28H27N3O4c12348193525171121(121825)202627(2296571022)2930(28(26)32)23131524(161423)31(33)34h5791820H24819H21H3b2620
MFCD01240196
ZINC000008442743
ZINC08442743
ZINC8442743
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