Vitas-M small molecule compound
4-(5-{1-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-methoxy-3-oxopropyl}furan-2-yl)benzoic acid
Catalog ID
STL542900
SMILES COC(=O)CC(c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O)c1ccc(o1)c1ccc(cc1)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 C30H22O12 MW 574.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22O12/c1-40-23(35)11-16(22-9-8-21(41-22)13-2-4-14(5-3-13)30(38)39)24-19(33)12-20(34)25-26(36)27(37)28(42-29(24)25)15-6-7-17(31)18(32)10-15/h2-10,12,16,31-34,37H,11H2,1H3,(H,38,39)InChIKey
KKTYYSYVPYMWLC-UHFFFAOYSA-NSynonyms
1574481-78-91574481789
4(5(1(2(34dihydroxyphenyl)357trihydroxy4oxo4Hchromen8yl)3methoxy3oxopropyl)furan2yl)benzoicacid
4(5(1(2(34dihydroxyphenyl)357trihydroxy4oxochromen8yl)3methoxy3oxopropyl)furan2yl)benzoicacid
71827280
InChI=1SC30H22O12c14023(35)1116(229821(4122)132414(5313)30(38)39)2419(33)1220(34)2526(36)27(37)28(4229(24)25)156717(31)18(32)1015h2101216313437H11H21H3(H3839)
MFCD28050681
ZINC000097971863
ZINC000097971864
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