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 2,2-dimethylpropanoate

Catalog ID
STK993076
SMILES Clc1cc(/C=C/2\Oc3c(C2=O)ccc(c3)OC(=O)C(C)(C)C)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 C22H19ClO6 MW 414.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClO6/c1-22(2,3)21(25)28-15-4-5-16-17(9-15)29-18(19(16)24)8-12-6-14(23)7-13-10-26-11-27-20(12)13/h4-9H,10-11H2,1-3H3/b18-8-
InChIKey
FIJYGDPQNRGVSV-LSCVHKIXSA-N
Synonyms
929512-38-9
((2Z)2((6chloro4H13benzodioxin8yl)methylidene)3oxo1benzofuran6yl)22dimethylpropanoate
(2Z)2((6chloro4H13benzodioxin8yl)methylidene)3oxo23dihydro1benzofuran6yl22dimethylpropanoate
(Z)2((6chloro4Hbenzo(d)(13)dioxin8yl)methylene)3oxo23dihydrobenzofuran6ylpivalate
2((6CHLORO(2H4HBENZO(E)13DIOXAN8YL))METHYLENE)3OXOBENZO(34B)FURAN6YL22DIMETHYLPROPANOATE
929512389
CC(C)(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC4=C3OCOC4)Cl)O2
Clc1cc(C=C2Oc3c(C2=O)ccc(c3)OC(=O)C(C)(C)C)c2c(c1)COCO2
InChI=1SC22H19ClO6c122(23)21(25)2815451617(915)2918(19(16)24)812614(23)7131026112720(12)13h49H1011H213H3b188
MFCD09844867
ZINC000013654214
ZINC13654214

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Available files

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