Vitas-M small molecule compound
(E)-(4-chlorophenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL045465
SMILES Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CC[NH+]1CCOCC1)/[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 C23H22ClN3O6 MW 471.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O6/c24-17-5-1-16(2-6-17)21(28)19-20(15-3-7-18(8-4-15)27(31)32)26(23(30)22(19)29)10-9-25-11-13-33-14-12-25/h1-8,20,28H,9-14H2/b21-19+InChIKey
YETBJXNJYDQRCC-XUTLUUPISA-NSynonyms
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(2(morpholin4ium4yl)ethyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
C1COCCN1CCN2C(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))CC(NH+)1CCOCC1)(O)
InChI=1SC23H22ClN3O6c24175116(2617)21(28)1920(153718(8415)27(31)32)26(23(30)22(19)29)10925111333141225h182028H914H2b2119+
MFCD18248645
ZINC000008818092
ZINC000102877915
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