Vitas-M small molecule compound
2-(ethoxycarbonyl)-3-(2-methoxyphenyl)-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Catalog ID
STL528505
SMILES CCOC(=O)c1oc2c(C[NH+]3CCCC(C3)C)c([O-])ccc2c(=O)c1c1ccccc1OC
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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 C26H29NO6 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO6/c1-4-32-26(30)25-22(17-9-5-6-10-21(17)31-3)23(29)18-11-12-20(28)19(24(18)33-25)15-27-13-7-8-16(2)14-27/h5-6,9-12,16,28H,4,7-8,13-15H2,1-3H3InChIKey
NLCQKVNXTOXWTL-UHFFFAOYSA-NSynonyms
610759-57-42(ethoxycarbonyl)3(2methoxyphenyl)8((3methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
2ETHOXYCARBONYL3(2METHOXYPHENYL)8((3METHYLPIPERIDIN1IUM1YL)METHYL)4OXOCHROMEN7OLATE
4551274
610759574
InChI=1SC26H29NO6c143226(30)2522(179561021(17)313)23(29)18111220(28)19(24(18)3325)1527137816(2)1427h569121628H4781315H213H3
MFCD03660617
ZINC000009033598
ZINC000009033600
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