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 1,3-benzodioxole-5-carboxylate

Catalog ID
STK628862
SMILES Clc1cc(/C=C/2\Oc3c(C2=O)ccc(c3)OC(=O)c2ccc3c(c2)OCO3)c2c(c1)COCO2

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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 C25H15ClO8 MW 478.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H15ClO8/c26-16-5-14(24-15(6-16)10-29-11-32-24)8-22-23(27)18-3-2-17(9-20(18)34-22)33-25(28)13-1-4-19-21(7-13)31-12-30-19/h1-9H,10-12H2/b22-8-
InChIKey
ZYEVPFFRCZJJBG-UYOCIXKTSA-N
Synonyms
929418-14-4
((2Z)2((6chloro4H13benzodioxin8yl)methylidene)3oxo1benzofuran6yl)13benzodioxole5carboxylate
(2Z)2((6chloro4H13benzodioxin8yl)methylidene)3oxo23dihydro1benzofuran6yl13benzodioxole5carboxylate
(Z)2((6chloro4Hbenzo(d)(13)dioxin8yl)methylene)3oxo23dihydrobenzofuran6ylbenzo(d)(13)dioxole5carboxylate
2((6CHLORO(2H4HBENZO(E)13DIOXIN8YL))METHYLENE)3OXOBENZO(34B)FURAN6YL2HBENZO(34D)13DIOXOLENE5CARBOXYLATE
929418144
C1C2=C(C(=CC(=C2)Cl)C=C3C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC6=C(C=C5)OCO6)OCO1
Clc1cc(C=C2Oc3c(C2=O)ccc(c3)OC(=O)c2ccc3c(c2)OCO3)c2c(c1)COCO2
InChI=1SC25H15ClO8c2616514(2415(616)1029113224)82223(27)183217(920(18)3422)3325(28)13141921(713)31123019h19H1012H2b228
MFCD09795720
ZINC000009476642
ZINC09476642
ZINC9476642

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Available files

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