Vitas-M small molecule compound
5-Methyl-5-(4-methyl-5-oxo-cyclohex-3-enyl)-4,5-dihydro-isoxazole-3-carboxylic acid amide
Catalog ID
STK690113
SMILES NC(=O)C1=NOC(C1)(C)[C@H]1CC=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 C12H16N2O3 MW 236.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N2O3/c1-7-3-4-8(5-10(7)15)12(2)6-9(11(13)16)14-17-12/h3,8H,4-6H2,1-2H3,(H2,13,16)/t8-,12?/m0/s1InChIKey
LJCXMPYSHPLXJA-KBPLZSHQSA-NSynonyms
5methyl5((1S)4methyl5oxocyclohex3en1yl)4H12oxazole3carboxamide
CC1=CCC(CC1=O)C2(CC(=NO2)C(=O)N)C
InChI=1SC12H16N2O3c17348(510(7)15)12(2)69(11(13)16)141712h38H46H212H3(H21316)t812?m0s1
NC(=O)C1=NOC(C1)(C)(C@H)1CC=C(C(=O)C1)C
ZINC000012416783
ZINC000012416785
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