Vitas-M small molecule compound
(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate
Catalog ID
STK566186
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1cccc[nH+]1)/[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 C27H25ClN2O4 MW 476.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O4/c1-27(2,3)18-11-8-16(9-12-18)23-22(24(31)17-10-13-20(34-4)19(28)15-17)25(32)26(33)30(23)21-7-5-6-14-29-21/h5-15,23,31H,1-4H3/b24-22+InChIKey
MDFVHBLWZSHTTA-ZNTNEXAZSA-NSynonyms
577769-71-2(4E)5(4TERTBUTYLPHENYL)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)(3chloro4methoxyphenyl)methanolate
577769712
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)Cl)O)C(=O)C(=O)N2C4=CC=CC=N4
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1cccc(nH+)1)(O)
InChI=1SC27H25ClN2O4c127(23)1811816(91218)2322(24(31)17101320(344)19(28)1517)25(32)26(33)30(23)21756142921h5152331H14H3b2422+
MFCD18244970
ZINC000102540191
ZINC000102540198
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