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-methylbenzoate
Catalog ID
STK623832
SMILES Clc1cc(/C=C/2\Oc3c(C2=O)ccc(c3)OC(=O)c2ccccc2C)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 C25H17ClO6 MW 448.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17ClO6/c1-14-4-2-3-5-19(14)25(28)31-18-6-7-20-21(11-18)32-22(23(20)27)10-15-8-17(26)9-16-12-29-13-30-24(15)16/h2-11H,12-13H2,1H3/b22-10-InChIKey
LCVWCEXMHQBBOT-YVNNLAQVSA-NSynonyms
929478-01-3((2Z)2((6chloro4H13benzodioxin8yl)methylidene)3oxo1benzofuran6yl)2methylbenzoate
(2Z)2((6chloro4H13benzodioxin8yl)methylidene)3oxo23dihydro1benzofuran6yl2methylbenzoate
(Z)2((6chloro4Hbenzo(d)(13)dioxin8yl)methylene)3oxo23dihydrobenzofuran6yl2methylbenzoate
2((6CHLORO(2H4HBENZO(E)13DIOXAN8YL))METHYLENE)3OXOBENZO(34B)FURAN6YL2METHYLBENZOATE
929478013
CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC5=C4OCOC5)Cl)O3
Clc1cc(C=C2Oc3c(C2=O)ccc(c3)OC(=O)c2ccccc2C)c2c(c1)COCO2
InChI=1SC25H17ClO6c114423519(14)25(28)3118672021(1118)3222(23(20)27)1015817(26)9161229133024(15)16h211H1213H21H3b2210
MFCD09791304
ZINC000013553101
ZINC13553101
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