Vitas-M small molecule compound

(2Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate

Catalog ID
STK924680
SMILES Fc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1ccc2c(c1)OCO2

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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 C23H13FO6 MW 404.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H13FO6/c24-15-3-1-2-13(8-15)9-21-22(25)17-6-5-16(11-19(17)30-21)29-23(26)14-4-7-18-20(10-14)28-12-27-18/h1-11H,12H2/b21-9-
InChIKey
HIWVISHIYDEMER-NKVSQWTQSA-N
Synonyms
622800-66-2
((2Z)2((3FLUOROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)13BENZODIOXOLE5CARBOXYLATE
(2Z)2(3fluorobenzylidene)3oxo23dihydro1benzofuran6yl13benzodioxole5carboxylate
(Z)2(3fluorobenzylidene)3oxo23dihydrobenzofuran6ylbenzo(d)(13)dioxole5carboxylate
2((3FLUOROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL2HBENZO(34D)13DIOXOLENE5CARBOXYLATE
2(3FLUOROBENZYLIDENE)3OXO23DIHYDRO1BENZOFURAN6YL13BENZODIOXOLE5CARBOXYLATE
622800662
C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CC5=CC(=CC=C5)F)O4
Fc1cccc(c1)C=C1Oc2c(C1=O)ccc(c2)OC(=O)c1ccc2c(c1)OCO2
InChI=1SC23H13FO6c241531213(815)92122(25)176516(1119(17)3021)2923(26)14471820(1014)28122718h111H12H2b219
MFCD04188362
ZINC000013778478
ZINC13778478

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Available files

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