Vitas-M small molecule compound
(E)-[2-(3,4-diethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL044336
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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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 C30H30N2O6 MW 514.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O6/c1-4-36-24-11-8-20(15-25(24)37-5-2)27-26(28(33)21-9-10-23-22(14-21)13-18(3)38-23)29(34)30(35)32(27)17-19-7-6-12-31-16-19/h6-12,14-16,18,27,33H,4-5,13,17H2,1-3H3/b28-26+InChIKey
JPRNMBSJNPYJAK-BYCLXTJYSA-NSynonyms
840515-81-3(4E)5(34DIETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(34DIETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(2(34diethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
840515813
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CC5=CN=CC=C5)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC30H30N2O6c14362411820(1525(24)3752)2726(28(33)219102322(1421)1318(3)3823)29(34)30(35)32(27)17197612311619h6121416182733H451317H213H3b2826+
MFCD18248400
ZINC000102876096
ZINC000102876104
Check stock
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Check stock on Vitas-MAvailable files
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