Vitas-M small molecule compound
(2Z)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856447
SMILES COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CC(C)CC(C1)C)[O-])OC
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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 C26H31NO6 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO6/c1-15-8-16(2)13-27(12-15)14-19-20(28)7-6-18-25(29)24(33-26(18)19)10-17-9-22(31-4)23(32-5)11-21(17)30-3/h6-7,9-11,15-16,28H,8,12-14H2,1-5H3/b24-10-InChIKey
IRLHZHXSGBQTOF-VROXFSQNSA-NSynonyms
929433-53-4(2Z)7((35dimethylpiperidin1ium1yl)methyl)3oxo2((245trimethoxyphenyl)methylidene)1benzofuran6olate
(2Z)7((35dimethylpiperidinium1yl)methyl)3oxo2(245trimethoxybenzylidene)23dihydro1benzofuran6olate
929433534
CC1CC(C(NH+)(C1)CC2=C(C=CC3=C2OC(=CC4=CC(=C(C=C4OC)OC)OC)C3=O)(O))C
COc1cc(OC)c(cc1C=C1Oc2c(C1=O)ccc(c2C(NH+)1CC(C)CC(C1)C)(O))OC
InChI=1SC26H31NO6c115816(2)1327(1215)141920(28)761825(29)24(3326(18)19)1017922(314)23(325)1121(17)303h67911151628H81214H215H3b2410
MFCD09794653
ZINC000013680686
ZINC000020649485
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