Vitas-M small molecule compound
(2E)-1-(1,3-benzodioxol-5-yl)-3-[(2-chloro-6-methylphenyl)amino]prop-2-en-1-one
Catalog ID
STK902302
SMILES O=C(c1ccc2c(c1)OCO2)/C=C/Nc1c(C)cccc1Cl
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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 C17H14ClNO3 MW 315.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClNO3/c1-11-3-2-4-13(18)17(11)19-8-7-14(20)12-5-6-15-16(9-12)22-10-21-15/h2-9,19H,10H2,1H3/b8-7+InChIKey
QRBRFVQQVBNEGK-BQYQJAHWSA-NSynonyms
(2E)1(13benzodioxol5yl)3((2chloro6methylphenyl)amino)prop2en1one
(E)1(13benzodioxol5yl)3(2chloro6methylanilino)prop2en1one
CC1=C(C(=CC=C1)Cl)NC=CC(=O)C2=CC3=C(C=C2)OCO3
InChI=1SC17H14ClNO3c11132413(18)17(11)198714(20)12561516(912)22102115h2919H10H21H3b87+
MFCD18174828
O=C(c1ccc2c(c1)OCO2)C=CNc1c(C)cccc1Cl
ZINC000044842754
ZINC44842754
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