Vitas-M small molecule compound
(E)-[2-(2-chlorophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Catalog ID
STL040241
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccccc1Cl)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 C21H14ClN3O3 MW 391.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O3/c22-15-10-5-4-9-14(15)17-16(18(26)13-7-2-1-3-8-13)19(27)20(28)25(17)21-23-11-6-12-24-21/h1-12,17,26H/b18-16+InChIKey
BWOVTGZATXTPEM-FBMGVBCBSA-NSynonyms
489402-69-9(4E)5(2CHLOROPHENYL)4(HYDROXY(PHENYL)METHYLIDENE)1PYRIMIDIN2YLPYRROLIDINE23DIONE
(E)(2(2chlorophenyl)45dioxo1(pyrimidin1ium2yl)pyrrolidin3ylidene)(phenyl)methanolate
(O)C(=C1C(=O)C(=O)N(C1c1ccccc1Cl)c1nccc(nH+)1)c1ccccc1
489402699
C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC=CC=N3)C4=CC=CC=C4Cl)O
InChI=1SC21H14ClN3O3c22151054914(15)1716(18(26)137213813)19(27)20(28)25(17)2123116122421h1121726Hb1816+
MFCD18247986
ZINC000102866310
ZINC000102866311
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