Vitas-M small molecule compound

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

Catalog ID
STK923835
SMILES O=C(c1ccc2c(c1)OCO2)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)/C2=O

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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 C23H12ClFO6 MW 438.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H12ClFO6/c24-16-2-1-3-17(25)15(16)10-21-22(26)14-6-5-13(9-19(14)31-21)30-23(27)12-4-7-18-20(8-12)29-11-28-18/h1-10H,11H2/b21-10-
InChIKey
VBIYYJYYZRDVIF-FBHDLOMBSA-N
Synonyms
846588-01-0
((2Z)2((2CHLORO6FLUOROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)13BENZODIOXOLE5CARBOXYLATE
(2Z)2(2chloro6fluorobenzylidene)3oxo23dihydro1benzofuran6yl13benzodioxole5carboxylate
(Z)2(2chloro6fluorobenzylidene)3oxo23dihydrobenzofuran6ylbenzo(d)(13)dioxole5carboxylate
2((6CHLORO2FLUOROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL2HBENZO(34D)13DIOXOLANE5CARBOXYLATE
846588010
C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CC5=C(C=CC=C5Cl)F)O4
InChI=1SC23H12ClFO6c241621317(25)15(16)102122(26)146513(919(14)3121)3023(27)12471820(812)29112818h110H11H2b2110
MFCD04177871
O=C(c1ccc2c(c1)OCO2)Oc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O
ZINC000009158058
ZINC09158058
ZINC9158058

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Available files

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