Vitas-M small molecule compound
(Z)-(4-chlorophenyl)[2-(methoxycarbonyl)-2-(morpholin-4-ium-4-yl)-4,5-dioxo-1-phenylpyrrolidin-3-ylidene]methanolate
Catalog ID
STK561058
SMILES COC(=O)C1([NH+]2CCOCC2)N(c2ccccc2)C(=O)C(=O)/C/1=C(/c1ccc(cc1)Cl)\[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 C23H21ClN2O6 MW 456.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O6/c1-31-22(30)23(25-11-13-32-14-12-25)18(19(27)15-7-9-16(24)10-8-15)20(28)21(29)26(23)17-5-3-2-4-6-17/h2-10,27H,11-14H2,1H3/b19-18+InChIKey
OBSCKFPKXBTPHG-VHEBQXMUSA-NSynonyms
(Z)(4chlorophenyl)(2(methoxycarbonyl)2(morpholin4ium4yl)45dioxo1phenylpyrrolidin3ylidene)methanolate
(Z)(4chlorophenyl)(2methoxycarbonyl2morpholin4ium4yl45dioxo1phenylpyrrolidin3ylidene)methanolate
COC(=O)C1((NH+)2CCOCC2)N(c2ccccc2)C(=O)C(=O)C1=C(c1ccc(cc1)Cl)(O)
COC(=O)C1(C(=C(C2=CC=C(C=C2)Cl)(O))C(=O)C(=O)N1C3=CC=CC=C3)(NH+)4CCOCC4
InChI=1SC23H21ClN2O6c13122(30)23(25111332141225)18(19(27)157916(24)10815)20(28)21(29)26(23)175324617h21027H1114H21H3b1918+
METHYL(3Z)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)2MORPHOLIN4YL45DIOXO1PHENYLPYRROLIDINE2CARBOXYLATE
MFCD18243702
ZINC000008816806
ZINC000102501300
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