Vitas-M small molecule compound
(E)-[2-(3-nitrophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Catalog ID
STK559900
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1nccc[nH+]1)/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 C21H14N4O5 MW 402.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N4O5/c26-18(13-6-2-1-3-7-13)16-17(14-8-4-9-15(12-14)25(29)30)24(20(28)19(16)27)21-22-10-5-11-23-21/h1-12,17,26H/b18-16+InChIKey
UIJDIUKXRNGSGY-FBMGVBCBSA-NSynonyms
384374-20-3(4E)4(HYDROXY(PHENYL)METHYLIDENE)5(3NITROPHENYL)1PYRIMIDIN2YLPYRROLIDINE23DIONE
(E)(2(3nitrophenyl)45dioxo1(pyrimidin1ium2yl)pyrrolidin3ylidene)(phenyl)methanolate
(O)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1nccc(nH+)1)c1ccccc1
384374203
C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC=CC=N3)C4=CC(=CC=C4)(N+)(=O)(O))O
InChI=1SC21H14N4O5c2618(136213713)1617(1484915(1214)25(29)30)24(20(28)19(16)27)2122105112321h1121726Hb1816+
MFCD18243397
ZINC000102491382
ZINC000102491389
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