Vitas-M small molecule compound
(4Z)-4-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-(4-methoxyphenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK822962
SMILES CCOc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=C/1\C(=O)N(N=C1c1ccc(cc1)OC)c1ccccc1)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 C34H27N5O5 MW 585.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27N5O5/c1-3-44-31-19-16-24(21-30(31)39(41)42)32-25(22-37(35-32)26-10-6-4-7-11-26)20-29-33(23-14-17-28(43-2)18-15-23)36-38(34(29)40)27-12-8-5-9-13-27/h4-22H,3H2,1-2H3/b29-20-InChIKey
BIRDQOPXTXAONF-BRPDVVIDSA-NSynonyms
(4Z)4((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)5(4methoxyphenyl)2phenyl24dihydro3Hpyrazol3one
(4Z)4((3(4ethoxy3nitrophenyl)1phenylpyrazol4yl)methylidene)5(4methoxyphenyl)2phenylpyrazol3one
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C6=CC=CC=C6)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))c1nn(cc1C=C1C(=O)N(N=C1c1ccc(cc1)OC)c1ccccc1)c1ccccc1
InChI=1SC34H27N5O5c134431191624(2130(31)39(41)42)3225(2237(3532)26106471126)202933(23141728(432)181523)3638(34(29)40)27128591327h422H3H212H3b2920
MFCD03463521
ZINC000101335076
ZINC101335076
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