Vitas-M small molecule compound
4-{5-[(2Z)-2-(2,4-dimethoxybenzylidene)-3,7-dioxo-2,3,8,9-tetrahydro-7H-furo[2,3-f]chromen-9-yl]furan-2-yl}benzoic acid
Catalog ID
STL551063
SMILES COc1ccc(c(c1)OC)/C=C/1\Oc2c(C1=O)ccc1c2C(CC(=O)O1)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 C31H22O9 MW 538.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22O9/c1-36-19-8-7-18(25(14-19)37-2)13-26-29(33)20-9-10-24-28(30(20)40-26)21(15-27(32)39-24)23-12-11-22(38-23)16-3-5-17(6-4-16)31(34)35/h3-14,21H,15H2,1-2H3,(H,34,35)/b26-13-InChIKey
MDUQNXLUSFUXAB-ZMFRSBBQSA-NSynonyms
(Z)4(5(2(24dimethoxybenzylidene)37dioxo3789tetrahydro2Hfuro(23f)chromen9yl)furan2yl)benzoicacid
127253570
4(5((2~(Z))2((24dimethoxyphenyl)methylidene)37dioxo89dihydrofuro(23f)chromen9yl)furan2yl)benzoicacid
4(5((2Z)2(24dimethoxybenzylidene)37dioxo2389tetrahydro7Hfuro(23f)chromen9yl)furan2yl)benzoicacid
COc1ccc(c(c1)OC)C=C1Oc2c(C1=O)ccc1c2C(CC(=O)O1)c1ccc(o1)c1ccc(cc1)C(=O)O
InChI=1SC31H22O9c136198718(25(1419)372)132629(33)209102428(30(20)4026)21(1527(32)3924)23121122(3823)163517(6416)31(34)35h31421H15H212H3(H3435)b2613
MFCD31757927
ZINC000604404246
ZINC001081804406
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