Vitas-M small molecule compound
(E)-[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK569070
SMILES COc1cc(ccc1OC)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(C)C)/[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/c1-17(2)36-21-10-7-19(8-11-21)26(31)24-25(20-9-12-22(34-3)23(14-20)35-4)30(28(33)27(24)32)16-18-6-5-13-29-15-18/h5-15,17,25,31H,16H2,1-4H3/b26-24+InChIKey
IEUPNFNVKXWNRZ-SHHOIMCASA-NSynonyms
371207-36-2(E)(2(34dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
371207362
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=C(C=C4)OC)OC)(O)
COc1cc(ccc1OC)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1)OC(C)C)(O)
InChI=1SC28H28N2O6c117(2)362110719(81121)26(31)2425(2091222(343)23(1420)354)30(28(33)27(24)32)16186513291518h515172531H16H214H3b2624+
MFCD09794479
ZINC000102555608
ZINC000102555614
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