Vitas-M small molecule compound
2-(3-bromo-4-methoxyphenyl)-2-oxoethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate
Catalog ID
STK019122
SMILES COc1ccc(cc1Br)C(=O)COC(=O)CCC(=O)c1ccc2c(c1)OCCO2
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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 C21H19BrO7 MW 463.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrO7/c1-26-18-5-2-13(10-15(18)22)17(24)12-29-21(25)7-4-16(23)14-3-6-19-20(11-14)28-9-8-27-19/h2-3,5-6,10-11H,4,7-9,12H2,1H3InChIKey
KKBSTASCQPHXPI-UHFFFAOYSA-NSynonyms
(2(3BROMO4METHOXYPHENYL)2OXOETHYL)4(23DIHYDRO14BENZODIOXIN6YL)4OXOBUTANOATE
2(3BROMO4METHOXYPHENYL)2OXOETHYL4(23DIHYDRO14BENZODIOXIN6YL)4OXOBUTANOATE
COC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)Br
COc1ccc(cc1Br)C(=O)COC(=O)CCC(=O)c1ccc2c(c1)OCCO2
InChI=1SC21H19BrO7c126185213(1015(18)22)17(24)122921(25)7416(23)14361920(1114)28982719h23561011H47912H21H3
MFCD03058627
STK019122
ZINC000008993781
ZINC08993781
ZINC8993781
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