Vitas-M small molecule compound
dimethyl 5-{5-[(2Z)-3,7-dioxo-2-(2,4,5-trimethoxybenzylidene)-2,3,8,9-tetrahydro-7H-furo[2,3-f]chromen-9-yl]furan-2-yl}benzene-1,3-dicarboxylate
Catalog ID
STL549794
SMILES COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc1c2C(CC(=O)O1)c1ccc(o1)c1cc(cc(c1)C(=O)OC)C(=O)OC)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 C35H28O12 MW 640.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28O12/c1-40-26-16-28(42-3)27(41-2)13-18(26)14-29-32(37)21-6-7-25-31(33(21)47-29)22(15-30(36)46-25)24-9-8-23(45-24)17-10-19(34(38)43-4)12-20(11-17)35(39)44-5/h6-14,16,22H,15H2,1-5H3/b29-14-InChIKey
MGZXAOJOEATYEV-NUJZUDFISA-NSynonyms
(Z)dimethyl5(5(37dioxo2(245trimethoxybenzylidene)3789tetrahydro2Hfuro(23f)chromen9yl)furan2yl)isophthalate
129895435
COc1cc(OC)c(cc1C=C1Oc2c(C1=O)ccc1c2C(CC(=O)O1)c1ccc(o1)c1cc(cc(c1)C(=O)OC)C(=O)OC)OC
dimethyl5(5((2~(Z))37dioxo2((245trimethoxyphenyl)methylidene)89dihydrofuro(23f)chromen9yl)furan2yl)benzene13dicarboxylate
dimethyl5(5((2Z)37dioxo2(245trimethoxybenzylidene)2389tetrahydro7Hfuro(23f)chromen9yl)furan2yl)benzene13dicarboxylate
InChI=1SC35H28O12c140261628(423)27(412)1318(26)142932(37)21672531(33(21)4729)22(1530(36)4625)249823(4524)171019(34(38)434)1220(1117)35(39)445h6141622H15H215H3b2914
MFCD31757207
ZINC000524731166
ZINC000524731167
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