Vitas-M small molecule compound
(4E)-4-{[1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK160408
SMILES COc1ccc(c(c1)[N+](=O)[O-])n1c(C)cc(c1C)/C=C/1\C(=NN(C1=O)c1ccccc1)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 C24H22N4O4 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4/c1-15-12-18(13-21-16(2)25-27(24(21)29)19-8-6-5-7-9-19)17(3)26(15)22-11-10-20(32-4)14-23(22)28(30)31/h5-14H,1-4H3/b21-13+InChIKey
XEUCZZVKBLJNGD-FYJGNVAPSA-NSynonyms
(4E)4((1(4METHOXY2NITROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
(4E)4((1(4METHOXY2NITROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
CC1=CC(=C(N1C2=C(C=C(C=C2)OC)(N+)(=O)(O))C)C=C3C(=NN(C3=O)C4=CC=CC=C4)C
COc1ccc(c(c1)(N+)(=O)(O))n1c(C)cc(c1C)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC24H22N4O4c1151218(132116(2)2527(24(21)29)198657919)17(3)26(15)22111020(324)1423(22)28(30)31h514H14H3b2113+
MFCD04551726
ZINC000009311854
ZINC09311854
ZINC9311854
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