Vitas-M small molecule compound

ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-4-oxo-4H-chromene-2-carboxylate

Catalog ID
STK888402
SMILES CCOC(=O)c1oc2c(CN3CCCC(C3)C)c(O)c(cc2c(=O)c1c1ccc2c(c1)OCCO2)CC

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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 C29H33NO7 MW 507.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO7/c1-4-18-13-20-26(32)24(19-8-9-22-23(14-19)36-12-11-35-22)28(29(33)34-5-2)37-27(20)21(25(18)31)16-30-10-6-7-17(3)15-30/h8-9,13-14,17,31H,4-7,10-12,15-16H2,1-3H3
InChIKey
NFAKETGUVHAQGL-UHFFFAOYSA-N
Synonyms
610759-61-0
3(23DIHYDRO14BENZODIOXIN6YL)2ETHOXYCARBONYL6ETHYL8((3METHYLPIPERIDIN1IUM1YL)METHYL)4OXOCHROMEN7OLATE
610759610
CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC4=C(C=C3)OCCO4)C(NH+)5CCCC(C5)C)(O)
ETHYL3(23DIHYDRO14BENZODIOXIN6YL)6ETHYL7HYDROXY8(((3R)3METHYLPIPERIDIN1YL)METHYL)4OXO4HCHROMENE2CARBOXYLATE
ethyl3(23dihydro14benzodioxin6yl)6ethyl7hydroxy8((3methylpiperidin1yl)methyl)4oxo4Hchromene2carboxylate
ETHYL3(23DIHYDRO14BENZODIOXIN6YL)6ETHYL7HYDROXY8((3METHYLPIPERIDIN1YL)METHYL)4OXOCHROMENE2CARBOXYLATE
ethyl3(23dihydrobenzo(b)(14)dioxin6yl)6ethyl7hydroxy8((3methylpiperidin1yl)methyl)4oxo4Hchromene2carboxylate
ETHYL3(2H3HBENZO(34E)14DIOXAN6YL)6ETHYL7HYDROXY8((3METHYLPIPERIDYL)METHYL)4OXOCHROMENE2CARBOXYLATE
InChI=1SC29H33NO7c1418132026(32)24(19892223(1419)3612113522)28(29(33)3452)3727(20)21(25(18)31)1630106717(3)1530h8913141731H4710121516H213H3
MFCD03669570
ZINC000001247891
ZINC000009065745

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Available files

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