Vitas-M small molecule compound

(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,6-dimethoxybenzoate

Catalog ID
STK993054
SMILES COc1cccc(c1C(=O)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)/C2=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 C26H19ClO8 MW 494.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClO8/c1-30-19-4-3-5-20(31-2)23(19)26(29)34-17-6-7-18-21(11-17)35-22(24(18)28)10-14-8-16(27)9-15-12-32-13-33-25(14)15/h3-11H,12-13H2,1-2H3/b22-10-
InChIKey
LZOGNYOJJMPABI-YVNNLAQVSA-N
Synonyms
929380-90-5
((2Z)2((6chloro4H13benzodioxin8yl)methylidene)3oxo1benzofuran6yl)26dimethoxybenzoate
(2Z)2((6chloro4H13benzodioxin8yl)methylidene)3oxo23dihydro1benzofuran6yl26dimethoxybenzoate
(Z)2((6chloro4Hbenzo(d)(13)dioxin8yl)methylene)3oxo23dihydrobenzofuran6yl26dimethoxybenzoate
2((6CHLORO(2H4HBENZO(E)13DIOXIN8YL))METHYLENE)3OXOBENZO(34B)FURAN6YL26DIMETHOXYBENZOATE
929380905
COC1=C(C(=CC=C1)OC)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC5=C4OCOC5)Cl)O3
COc1cccc(c1C(=O)Oc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O)OC
InChI=1SC26H19ClO8c1301943520(312)23(19)26(29)3417671821(1117)3522(24(18)28)1014816(27)9151232133325(14)15h311H1213H212H3b2210
MFCD09847172
ZINC000013655265
ZINC13655265

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Available files

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