Vitas-M small molecule compound
dimethyl 5-(5-{(2Z)-2-[4-(methoxycarbonyl)benzylidene]-3,7-dioxo-2,3,8,9-tetrahydro-7H-furo[2,3-f]chromen-9-yl}furan-2-yl)benzene-1,3-dicarboxylate
Catalog ID
STL546639
SMILES COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc1c2C(CC(=O)O1)c1ccc(o1)c1cc(cc(c1)C(=O)OC)C(=O)OC
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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 C34H24O11 MW 608.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H24O11/c1-40-32(37)18-6-4-17(5-7-18)12-27-30(36)22-8-9-26-29(31(22)45-27)23(16-28(35)44-26)25-11-10-24(43-25)19-13-20(33(38)41-2)15-21(14-19)34(39)42-3/h4-15,23H,16H2,1-3H3/b27-12-InChIKey
KXXYVPGXBXEKTB-PPDIBHTLSA-NSynonyms
(Z)dimethyl5(5(2(4(methoxycarbonyl)benzylidene)37dioxo3789tetrahydro2Hfuro(23f)chromen9yl)furan2yl)isophthalate
121541516
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)ccc1c2C(CC(=O)O1)c1ccc(o1)c1cc(cc(c1)C(=O)OC)C(=O)OC
dimethyl5(5((2~(Z))2((4methoxycarbonylphenyl)methylidene)37dioxo89dihydrofuro(23f)chromen9yl)furan2yl)benzene13dicarboxylate
dimethyl5(5((2Z)2(4(methoxycarbonyl)benzylidene)37dioxo2389tetrahydro7Hfuro(23f)chromen9yl)furan2yl)benzene13dicarboxylate
InChI=1SC34H24O11c14032(37)186417(5718)122730(36)22892629(31(22)4527)23(1628(35)4426)25111024(4325)191320(33(38)412)1521(1419)34(39)423h41523H16H213H3b2712
MFCD30344234
ZINC000263585640
ZINC001081801683
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