Vitas-M small molecule compound
8-{[benzyl(methyl)ammonio]methyl}-3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-olate
Catalog ID
STK608055
SMILES COc1cc(ccc1OC)c1c(C)oc2c(c1=O)ccc(c2C[NH+](Cc1ccccc1)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 C27H27NO5 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO5/c1-17-25(19-10-13-23(31-3)24(14-19)32-4)26(30)20-11-12-22(29)21(27(20)33-17)16-28(2)15-18-8-6-5-7-9-18/h5-14,29H,15-16H2,1-4H3InChIKey
HERFLOACOIJPFO-UHFFFAOYSA-NSynonyms
844827-27-63(34DIMETHOXYPHENYL)7HYDROXY2METHYL8((METHYLBENZYLAMINO)METHYL)CHROMEN4ONE
8((benzyl(methyl)ammonio)methyl)3(34dimethoxyphenyl)2methyl4oxo4Hchromen7olate
COc1cc(ccc1OC)c1c(C)oc2c(c1=O)ccc(c2C(NH+)(Cc1ccccc1)C)(O)
MFCD04161435
ZINC000009065644
ZINC9065644
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