Vitas-M small molecule compound
methyl 3-{3-chloro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]propanoate
Catalog ID
STL541133
SMILES COC(=O)CC(c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O)c1ccc(c(c1)Cl)OCC(=C)C
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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 C29H25ClO7 MW 520.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClO7/c1-16(2)14-36-25-11-6-18(12-23(25)30)21(13-26(33)35-3)27-24(32)10-9-20-28(34)22(15-37-29(20)27)17-4-7-19(31)8-5-17/h4-12,15,21,31-32H,1,13-14H2,2-3H3InChIKey
LFIFDWZNHVLGIQ-UHFFFAOYSA-NSynonyms
1574393-78-41574393784
71826413
InChI=1SC29H25ClO7c116(2)14362511618(1223(25)30)21(1326(33)353)2724(32)1092028(34)22(153729(20)27)174719(31)8517h41215213132H11314H223H3
METHYL3(3CHLORO4((2METHYLALLYL)OXY)PHENYL)3(7HYDROXY3(4HYDROXYPHENYL)4OXO4HCHROMEN8YL)PROPANOATE
methyl3(3chloro4((2methylprop2en1yl)oxy)phenyl)3(7hydroxy3(4hydroxyphenyl)4oxo4Hchromen8yl)propanoate
methyl3(3chloro4(2methylprop2enoxy)phenyl)3(7hydroxy3(4hydroxyphenyl)4oxochromen8yl)propanoate
MFCD28051385
ZINC000096115197
ZINC000096115198
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