Vitas-M small molecule compound
(E)-[2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL054255
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)OC(C)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 C29H30N2O6 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6/c1-5-36-23-13-10-21(15-24(23)35-4)26-25(27(32)20-8-11-22(12-9-20)37-18(2)3)28(33)29(34)31(26)17-19-7-6-14-30-16-19/h6-16,18,26,32H,5,17H2,1-4H3/b27-25+InChIKey
FLYIJXKNQSLWDY-IMVLJIQESA-NSynonyms
371141-52-5(4E)5(4ETHOXY3METHOXYPHENYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4ETHOXY3METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
(E)(2(4ethoxy3methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
371141525
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC(C)C)O)C(=O)C(=O)N2CC4=CN=CC=C4)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC29H30N2O6c153623131021(1524(23)354)2625(27(32)2081122(12920)3718(2)3)28(33)29(34)31(26)17197614301619h616182632H517H214H3b2725+
MFCD18249593
ZINC000102892386
ZINC000102892388
Check stock
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Check stock on Vitas-MAvailable files
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