Vitas-M small molecule compound

(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate

Catalog ID
STK923602
SMILES COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)C1CCCCC1

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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 C24H24O6 MW 408.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24O6/c1-27-19-11-8-15(12-21(19)28-2)13-22-23(25)18-10-9-17(14-20(18)30-22)29-24(26)16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3/b22-13-
InChIKey
IRXAYJNQWRXLGZ-XKZIYDEJSA-N
Synonyms
859137-28-3
((2Z)2((34DIMETHOXYPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)CYCLOHEXANECARBOXYLATE
(2Z)2(34dimethoxybenzylidene)3oxo23dihydro1benzofuran6ylcyclohexanecarboxylate
(Z)2(34dimethoxybenzylidene)3oxo23dihydrobenzofuran6ylcyclohexanecarboxylate
2((34DIMETHOXYPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLCYCLOHEXANECARBOXYLATE
859137283
COC1=C(C=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4CCCCC4)OC
InChI=1SC24H24O6c1271911815(1221(19)282)132223(25)1810917(1420(18)3022)2924(26)166435716h81416H37H212H3b2213
MFCD04146318
ZINC000012861929
ZINC12861929

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.