Vitas-M small molecule compound
2-(ethoxycarbonyl)-3-(4-methoxyphenyl)-8-[(2-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Catalog ID
STL528312
SMILES CCOC(=O)c1oc2c(C[NH+]3CCCCC3C)c([O-])ccc2c(=O)c1c1ccc(cc1)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 C26H29NO6 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO6/c1-4-32-26(30)25-22(17-8-10-18(31-3)11-9-17)23(29)19-12-13-21(28)20(24(19)33-25)15-27-14-6-5-7-16(27)2/h8-13,16,28H,4-7,14-15H2,1-3H3InChIKey
ZYFMAVKIDAQEPE-UHFFFAOYSA-NSynonyms
610760-18-42(ethoxycarbonyl)3(4methoxyphenyl)8((2methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
2ETHOXYCARBONYL3(4METHOXYPHENYL)8((2METHYLPIPERIDIN1IUM1YL)METHYL)4OXOCHROMEN7OLATE
4989202
610760184
InChI=1SC26H29NO6c143226(30)2522(1781018(313)11917)23(29)19121321(28)20(24(19)3325)15271465716(27)2h8131628H471415H213H3
MFCD03660556
ZINC000008817577
ZINC000008817578
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