Vitas-M small molecule compound
5-[3-(4-methoxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-5-yl]-2-methylcyclohex-2-en-1-one
Catalog ID
STK870396
SMILES COc1ccc(cc1)C1=NOC(C1)(C)C1CC=C(C(=O)C1)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 C18H21NO3 MW 299.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO3/c1-12-4-7-14(10-17(12)20)18(2)11-16(19-22-18)13-5-8-15(21-3)9-6-13/h4-6,8-9,14H,7,10-11H2,1-3H3InChIKey
NVVAGVNIVYUIOB-UHFFFAOYSA-NSynonyms
(5S)5((5S)3(4METHOXYPHENYL)5METHYL45DIHYDRO5ISOXAZOLYL)2METHYL2CYCLOHEXEN1ONE
5(3(4methoxyphenyl)5methyl45dihydro12oxazol5yl)2methylcyclohex2en1one
5(3(4methoxyphenyl)5methyl4H12oxazol5yl)2methylcyclohex2en1one
CC1=CCC(CC1=O)C2(CC(=NO2)C3=CC=C(C=C3)OC)C
InChI=1SC18H21NO3c1124714(1017(12)20)18(2)1116(192218)135815(213)9613h468914H71011H213H3
MFCD09266501
ZINC000012416791
ZINC000020601829
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