Vitas-M small molecule compound
3-[4-(ethoxycarbonyl)phenoxy]-2-methyl-8-[(2-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Catalog ID
STK586809
SMILES CCOC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2C[NH+]1CCCCC1C)[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 C26H29NO6 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO6/c1-4-31-26(30)18-8-10-19(11-9-18)33-24-17(3)32-25-20(23(24)29)12-13-22(28)21(25)15-27-14-6-5-7-16(27)2/h8-13,16,28H,4-7,14-15H2,1-3H3InChIKey
XGORKVVNUHPGHE-UHFFFAOYSA-NSynonyms
847040-26-03(4(ethoxycarbonyl)phenoxy)2methyl8((2methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCC4C)O)C
CCOC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2C(NH+)1CCCCC1C)(O)
ETHYL4(7HYDROXY2METHYL8((2METHYLPIPERIDIN1YL)METHYL)4OXOCHROMEN3YL)OXYBENZOATE
ETHYL4(7HYDROXY2METHYL8((2METHYLPIPERIDYL)METHYL)4OXOCHROMEN3YLOXY)BENZOATE
InChI=1SC26H29NO6c143126(30)1881019(11918)332417(3)322520(23(24)29)121322(28)21(25)15271465716(27)2h8131628H471415H213H3
MFCD04178790
ZINC000009158303
ZINC000009158305
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