Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){2-[4-(methoxycarbonyl)phenyl]-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK561799
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)Cc1ccc[nH+]c1)/[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 C27H23ClN2O6 MW 506.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O6/c1-3-36-21-11-10-19(13-20(21)28)24(31)22-23(17-6-8-18(9-7-17)27(34)35-2)30(26(33)25(22)32)15-16-5-4-12-29-14-16/h4-14,23,31H,3,15H2,1-2H3/b24-22+InChIKey
IBVYLSMGBDWCFG-ZNTNEXAZSA-NSynonyms
636988-17-5(E)(3chloro4ethoxyphenyl)(2(4(methoxycarbonyl)phenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(2(4METHOXYCARBONYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
636988175
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(=O)OC)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)Cc1ccc(nH+)c1)(O)
InChI=1SC27H23ClN2O6c133621111019(1320(21)28)24(31)2223(176818(9717)27(34)352)30(26(33)25(22)32)15165412291416h4142331H315H212H3b2422+
METHYL4((3E)3((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN2YL)BENZOATE
METHYL4(3((3CHLORO4ETHOXYPHENYL)CARBONYL)4HYDROXY5OXO1(3PYRIDYLMETHYL)3PYRROLIN2YL)BENZOATE
MFCD18243893
ZINC000102507116
ZINC000102507126
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