Vitas-M small molecule compound

(2Z)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate

Catalog ID
STL033477
SMILES COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C)OC(=O)c2ccc3c(c2)OCO3)cc(c1OC)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 C27H22O9 MW 490.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22O9/c1-14-18(36-27(29)16-5-7-19-20(12-16)34-13-33-19)8-6-17-24(28)21(35-25(14)17)9-15-10-22(30-2)26(32-4)23(11-15)31-3/h5-12H,13H2,1-4H3/b21-9-
InChIKey
YRBOKTPQGOAMIT-NKVSQWTQSA-N
Synonyms
859666-14-1
((2Z)7METHYL3OXO2((345TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN6YL)13BENZODIOXOLE5CARBOXYLATE
(2Z)7methyl3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6yl13benzodioxole5carboxylate
(Z)7methyl3oxo2(345trimethoxybenzylidene)23dihydrobenzofuran6ylbenzo(d)(13)dioxole5carboxylate
7METHYL3OXO2((345TRIMETHOXYPHENYL)METHYLENE)BENZO(34B)FURAN6YL2HBENZO(34D)13DIOXOLANE5CARBOXYLATE
859666141
CC1=C(C=CC2=C1OC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)OC(=O)C4=CC5=C(C=C4)OCO5
COc1cc(C=C2Oc3c(C2=O)ccc(c3C)OC(=O)c2ccc3c(c2)OCO3)cc(c1OC)OC
InChI=1SC27H22O9c11418(3627(29)16571920(1216)34133319)861724(28)21(3525(14)17)9151022(302)26(324)23(1115)313h512H13H214H3b219
MFCD06495829
ZINC000011866190
ZINC11866190

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Available files

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