Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl)[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL039799
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)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 C27H25ClN2O6 MW 508.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O6/c1-4-36-20-9-8-18(12-19(20)28)25(31)23-24(17-7-10-21(34-2)22(13-17)35-3)30(27(33)26(23)32)15-16-6-5-11-29-14-16/h5-14,24,31H,4,15H2,1-3H3/b25-23+InChIKey
QZKJNCRWGOZCSM-WJTDDFOZSA-NSynonyms
636990-96-0(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(34DIMETHOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(3CHLORO4ETHOXYPHENYL)(2(34DIMETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(3chloro4ethoxyphenyl)(2(34dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
5(34DIMETHOXYPHENYL)4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY1(3PYRIDYLMETHYL)3PYRROLIN2ONE
636990960
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C=C4)OC)OC)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)Cc1ccc(nH+)c1)(O)
InChI=1SC27H25ClN2O6c1436209818(1219(20)28)25(31)2324(1771021(342)22(1317)353)30(27(33)26(23)32)15166511291416h5142431H415H213H3b2523+
MFCD18247900
ZINC000102864777
ZINC000102864778
Check stock
See real-time availability and sample size for STL039799 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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