Vitas-M small molecule compound
(E)-(4-chlorophenyl)[2-(4-nitrophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL038554
SMILES Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1cccc[nH+]1)/[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 C22H14ClN3O5 MW 435.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14ClN3O5/c23-15-8-4-14(5-9-15)20(27)18-19(13-6-10-16(11-7-13)26(30)31)25(22(29)21(18)28)17-3-1-2-12-24-17/h1-12,19,27H/b20-18+InChIKey
XICTXOSVKOVTPD-CZIZESTLSA-NSynonyms
331751-53-2(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(4NITROPHENYL)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(4chlorophenyl)(2(4nitrophenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)methanolate
331751532
C1=CC=NC(=C1)N2C(C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C2=O)C4=CC=C(C=C4)(N+)(=O)(O)
Clc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))c1cccc(nH+)1)(O)
InChI=1SC22H14ClN3O5c23158414(5915)20(27)1819(1361016(11713)26(30)31)25(22(29)21(18)28)17312122417h1121927Hb2018+
MFCD18247653
ZINC000102860798
ZINC000102860801
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