Vitas-M small molecule compound
(4E)-5-methyl-4-({[(2-methyl-1,3-benzoxazol-7-yl)carbonyl]oxy}imino)-2-(propan-2-yl)cyclohexa-2,5-dien-1-one
Catalog ID
STK772705
SMILES Cc1nc2c(o1)c(ccc2)C(=O)O/N=C/1\C=C(C(C)C)C(=O)C=C1C
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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 C19H18N2O4 MW 338.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O4/c1-10(2)14-9-16(11(3)8-17(14)22)21-25-19(23)13-6-5-7-15-18(13)24-12(4)20-15/h5-10H,1-4H3/b21-16+InChIKey
KBLKVWYIYNRRIW-LTGZKZEYSA-NSynonyms
((E)(2METHYL4OXO5PROPAN2YLCYCLOHEXA25DIEN1YLIDENE)AMINO)2METHYL13BENZOXAZOLE7CARBOXYLATE
(4E)2ISOPROPYL5METHYLBENZO14QUINONE4(O((2METHYL13BENZOXAZOL7YL)CARBONYL)OXIME)
(4E)5methyl4((((2methyl13benzoxazol7yl)carbonyl)oxy)imino)2(propan2yl)cyclohexa25dien1one
25CYCLOHEXADIEN1ONE5METHYL4((((2METHYL13BENZOXAZOL7YL)CARBONYL)OXY)IMINO)2(1METHYLETHYL)
CC1=CC(=O)C(=CC1=NOC(=O)C2=C3C(=CC=C2)N=C(O3)C)C(C)C
Cc1nc2c(o1)c(ccc2)C(=O)ON=C1C=C(C(C)C)C(=O)C=C1C
InChI=1SC19H18N2O4c110(2)14916(11(3)817(14)22)212519(23)136571518(13)2412(4)2015h510H14H3b2116+
MFCD03820630
ZINC000000108439
ZINC13114065
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