Vitas-M small molecule compound
(4Z)-4-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK165358
SMILES COc1ccc(cc1c1ccc(o1)/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 C22H17N3O5 MW 403.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O5/c1-14-18(22(26)24(23-14)15-6-4-3-5-7-15)13-17-9-11-21(30-17)19-12-16(25(27)28)8-10-20(19)29-2/h3-13H,1-2H3/b18-13-InChIKey
PUKOLCKRRALSSF-AQTBWJFISA-NSynonyms
(4Z)4((5(2METHOXY5NITROPHENYL)FURAN2YL)METHYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
(4Z)4((5(2METHOXY5NITROPHENYL)FURAN2YL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C=CC(=C3)(N+)(=O)(O))OC)C4=CC=CC=C4
COc1ccc(cc1c1ccc(o1)C=C1C(=NN(C1=O)c1ccccc1)C)(N+)(=O)(O)
InChI=1SC22H17N3O5c11418(22(26)24(2314)156435715)131791121(3017)191216(25(27)28)81020(19)292h313H12H3b1813
MFCD03707108
ZINC000004702363
ZINC04702363
ZINC4702363
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