Vitas-M small molecule compound
(4E)-1-butyl-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK573897
SMILES CCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)[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 C21H19ClN2O5 MW 414.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O5/c1-2-3-12-23-18(13-6-10-16(11-7-13)24(28)29)17(20(26)21(23)27)19(25)14-4-8-15(22)9-5-14/h4-11,18,25H,2-3,12H2,1H3/b19-17+InChIKey
DPTPWRPUJXZMNS-HTXNQAPBSA-NSynonyms
497241-37-9(4E)1butyl4((4chlorophenyl)(hydroxy)methylidene)5(4nitrophenyl)pyrrolidine23dione
(4E)1BUTYL4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(4NITROPHENYL)PYRROLIDINE23DIONE
497241379
CCCCN1C(=O)C(=O)C(=C(c2ccc(cc2)Cl)O)C1c1ccc(cc1)(N+)(=O)(O)
CCCCN1C(C(=C(C2=CC=C(C=C2)Cl)O)C(=O)C1=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H19ClN2O5c123122318(1361016(11713)24(28)29)17(20(26)21(23)27)19(25)144815(22)9514h4111825H2312H21H3b1917+
MFCD07199837
ZINC000102573355
ZINC000102573361
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