Vitas-M small molecule compound
(2Z)-4-methyl-3-oxo-7-(piperidinium-1-ylmethyl)-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK854543
SMILES COc1c(ccc(c1OC)OC)/C=C/1\Oc2c(C1=O)c(C)cc(c2C[NH+]1CCCCC1)[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 C25H29NO6 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6/c1-15-12-18(27)17(14-26-10-6-5-7-11-26)24-21(15)22(28)20(32-24)13-16-8-9-19(29-2)25(31-4)23(16)30-3/h8-9,12-13,27H,5-7,10-11,14H2,1-4H3/b20-13-InChIKey
XXMSLTILVUHNGE-MOSHPQCFSA-NSynonyms
903199-27-9(2Z)4methyl3oxo7(piperidinium1ylmethyl)2(234trimethoxybenzylidene)23dihydro1benzofuran6olate
(2Z)6hydroxy4methyl7(piperidin1ylmethyl)2((234trimethoxyphenyl)methylidene)1benzofuran3one
903199279
CC1=CC(=C(C2=C1C(=O)C(=CC3=C(C(=C(C=C3)OC)OC)OC)O2)CN4CCCCC4)O
COc1c(ccc(c1OC)OC)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)1CCCCC1)(O)
InChI=1SC25H29NO6c1151218(27)17(1426106571126)2421(15)22(28)20(3224)13168919(292)25(314)23(16)303h89121327H57101114H214H3b2013
MFCD08292182
ZINC000020591098
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