Vitas-M small molecule compound
(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL428834
SMILES O=C1/C(=C/c2ccc3c(c2)OCO3)/C(=NN1c1ccc(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 C23H15N3O5 MW 413.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15N3O5/c27-23-19(12-15-6-11-20-21(13-15)31-14-30-20)22(16-4-2-1-3-5-16)24-25(23)17-7-9-18(10-8-17)26(28)29/h1-13H,14H2/b19-12+InChIKey
GVNJFFBCCLWDFJ-XDHOZWIPSA-NSynonyms
(4E)4(13benzodioxol5ylmethylidene)2(4nitrophenyl)5phenyl24dihydro3Hpyrazol3one
(4E)4(13benzodioxol5ylmethylidene)2(4nitrophenyl)5phenylpyrazol3one
C1OC2=C(O1)C=C(C=C2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5
InChI=1SC23H15N3O5c272319(12156112021(1315)31143020)22(164213516)2425(23)177918(10817)26(28)29h113H14H2b1912+
MFCD30710669
O=C1C(=Cc2ccc3c(c2)OCO3)C(=NN1c1ccc(cc1)(N+)(=O)(O))c1ccccc1
ZINC000252485429
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