Vitas-M small molecule compound
(2E)-1-(4-tert-butyl-2,6-dimethylphenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
Catalog ID
STL477667
SMILES Clc1ccc(c(c1)Cl)/C=C/C(=O)c1c(C)cc(cc1C)C(C)(C)C
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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 C21H22Cl2O MW 361.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22Cl2O/c1-13-10-16(21(3,4)5)11-14(2)20(13)19(24)9-7-15-6-8-17(22)12-18(15)23/h6-12H,1-5H3/b9-7+InChIKey
JMLZEVMJWSAAFR-VQHVLOKHSA-NSynonyms
(2E)1(4tertbutyl26dimethylphenyl)3(24dichlorophenyl)prop2en1one
(E)1(4tertbutyl26dimethylphenyl)3(24dichlorophenyl)prop2en1one
CC1=CC(=CC(=C1C(=O)C=CC2=C(C=C(C=C2)Cl)Cl)C)C(C)(C)C
Clc1ccc(c(c1)Cl)C=CC(=O)c1c(C)cc(cc1C)C(C)(C)C
InChI=1SC21H22Cl2Oc1131016(21(34)5)1114(2)20(13)19(24)97156817(22)1218(15)23h612H15H3b97+
MFCD30502828
ZINC000334160653
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