Vitas-M small molecule compound
(2Z)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STL531097
SMILES COc1c(ccc(c1OC)OC)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CC(C)CC(C1)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 C26H31NO6 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO6/c1-15-10-16(2)13-27(12-15)14-19-20(28)8-7-18-23(29)22(33-25(18)19)11-17-6-9-21(30-3)26(32-5)24(17)31-4/h6-9,11,15-16,28H,10,12-14H2,1-5H3/b22-11-InChIKey
VPQPGJTXWKINJI-JJFYIABZSA-NSynonyms
859133-65-6(2~(Z))7((35dimethylpiperidin1ium1yl)methyl)3oxo2((234trimethoxyphenyl)methylidene)1benzofuran6olate
(2Z)7((35dimethylpiperidinium1yl)methyl)3oxo2(234trimethoxybenzylidene)23dihydro1benzofuran6olate
44664503
859133656
MFCD06493085
ZINC000020610679
ZINC000020610683
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