Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylic acid
Catalog ID
STL512822
SMILES CCc1cc2c(cc1O)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C(=O)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 C21H18O7 MW 382.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18O7/c1-2-11-8-13-16(10-14(11)22)28-20(21(24)25)18(19(13)23)12-4-5-15-17(9-12)27-7-3-6-26-15/h4-5,8-10,22H,2-3,6-7H2,1H3,(H,24,25)InChIKey
JYKAHHLZKIYWRN-UHFFFAOYSA-NSynonyms
162665-05-6162665056
3(34dihydro2~(H)15benzodioxepin7yl)6ethyl7hydroxy4oxochromene2carboxylicacid
3(34dihydro2H15benzodioxepin7yl)6ethyl7hydroxy4oxo4Hchromene2carboxylicacid
3(34DIHYDRO2H15BENZODIOXEPIN7YL)6ETHYL7HYDROXY4OXOCHROMENE2CARBOXYLICACID
3(34DIHYDRO2HBENZO(B)(14)DIOXEPIN7YL)6ETHYL7HYDROXY4OXO4HCHROMENE2CARBOXYLICACID
5906056
InChI=1SC21H18O7c121181316(1014(11)22)2820(21(24)25)18(19(13)23)12451517(912)277362615h4581022H2367H21H3(H2425)
MFCD01235441
ZINC000019702950
ZINC19702950
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