Vitas-M small molecule compound
(2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one
Catalog ID
STL514456
SMILES COc1c(/C=C/C(=O)c2ccc(cc2)Br)c(CCN(C)C)cc2c1OCO2
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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 C21H22BrNO4 MW 432.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO4/c1-23(2)11-10-15-12-19-21(27-13-26-19)20(25-3)17(15)8-9-18(24)14-4-6-16(22)7-5-14/h4-9,12H,10-11,13H2,1-3H3/b9-8+InChIKey
BKEMLHYTEQVLPN-CMDGGOBGSA-NSynonyms
859664-89-4(~(E))1(4bromophenyl)3(6(2(dimethylamino)ethyl)4methoxy13benzodioxol5yl)prop2en1one
(2E)1(4bromophenyl)3(6(2(dimethylamino)ethyl)4methoxy13benzodioxol5yl)prop2en1one
(E)1(4bromophenyl)3(6(2(dimethylamino)ethyl)4methoxybenzo(d)(13)dioxol5yl)prop2en1one
(E)1(4BROMOPHENYL)3(6(2DIMETHYLAMINOETHYL)4METHOXY13BENZODIOXOL5YL)PROP2EN1ONE
6216859
859664894
COc1c(C=CC(=O)c2ccc(cc2)Br)c(CCN(C)C)cc2c1OCO2
InChI=1SC21H22BrNO4c123(2)111015121921(27132619)20(253)17(15)8918(24)144616(22)7514h4912H101113H213H3b98+
MFCD06495583
ZINC000008789659
ZINC8789659
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