Vitas-M small molecule compound
methyl 4-{(Z)-[9-(1,3-benzodioxol-5-yl)-3,7-dioxo-8,9-dihydro-7H-furo[2,3-f]chromen-2(3H)-ylidene]methyl}benzoate
Catalog ID
STL548046
SMILES COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc1c2C(CC(=O)O1)c1ccc2c(c1)OCO2
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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 C27H18O8 MW 470.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18O8/c1-31-27(30)15-4-2-14(3-5-15)10-22-25(29)17-7-9-20-24(26(17)35-22)18(12-23(28)34-20)16-6-8-19-21(11-16)33-13-32-19/h2-11,18H,12-13H2,1H3/b22-10-InChIKey
WWNSZLONBJDVRZ-YVNNLAQVSA-NSynonyms
(Z)methyl4((9(benzo(d)(13)dioxol5yl)37dioxo3789tetrahydro2Hfuro(23f)chromen2ylidene)methyl)benzoate
121541252
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)ccc1c2C(CC(=O)O1)c1ccc2c(c1)OCO2
InChI=1SC27H18O8c13127(30)154214(3515)102225(29)17792024(26(17)3522)18(1223(28)3420)16681921(1116)33133219h21118H1213H21H3b2210
methyl4((~(Z))(9(13benzodioxol5yl)37dioxo89dihydrofuro(23f)chromen2ylidene)methyl)benzoate
methyl4((Z)(9(13benzodioxol5yl)37dioxo89dihydro7Hfuro(23f)chromen2(3H)ylidene)methyl)benzoate
MFCD30344105
ZINC000263586677
ZINC001081801746
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