Vitas-M small molecule compound
(E)-[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate
Catalog ID
STK560812
SMILES CCCOc1ccc(cc1)/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 C28H28N2O6 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O6/c1-4-14-36-21-10-7-19(8-11-21)26(31)24-25(20-9-12-22(34-2)23(15-20)35-3)30(28(33)27(24)32)17-18-6-5-13-29-16-18/h5-13,15-16,25,31H,4,14,17H2,1-3H3/b26-24+InChIKey
WWJIPBRBWPWFMN-SHHOIMCASA-NSynonyms
615275-63-3(E)(2(34dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4propoxyphenyl)methanolate
615275633
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=C(C=C4)OC)OC)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)Cc1ccc(nH+)c1)(O)
InChI=1SC28H28N2O6c1414362110719(81121)26(31)2425(2091222(342)23(1520)353)30(28(33)27(24)32)17186513291618h51315162531H41417H213H3b2624+
MFCD08735247
ZINC000102499138
ZINC000102499147
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