Vitas-M small molecule compound
(E)-[2-(2,3-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STK577707
SMILES COc1c(OC)cccc1C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCC(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 C29H30N2O6 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6/c1-18(2)17-37-21-12-10-20(11-13-21)26(32)24-25(22-8-5-9-23(35-3)28(22)36-4)31(29(34)27(24)33)16-19-7-6-14-30-15-19/h5-15,18,25,32H,16-17H2,1-4H3/b26-24+InChIKey
PCCFNUFUCKCXLN-SHHOIMCASA-NSynonyms
842961-51-7(4E)5(23DIMETHOXYPHENYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(23dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
842961517
CC(C)COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=C(C(=CC=C4)OC)OC)O
COc1c(OC)cccc1C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1)OCC(C)C)(O)
InChI=1SC29H30N2O6c118(2)173721121020(111321)26(32)2425(2285923(353)28(22)364)31(29(34)27(24)33)16197614301519h515182532H1617H214H3b2624+
MFCD07206605
ZINC000102582187
ZINC000102582192
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