Vitas-M small molecule compound
6-[(3,3-dimethylbutan-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK479379
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)NC(C(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 C16H27NO3 MW 281.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H27NO3/c1-9-7-12(13(15(19)20)8-10(9)2)14(18)17-11(3)16(4,5)6/h11-13H,7-8H2,1-6H3,(H,17,18)(H,19,20)InChIKey
RFMRDIWZFWOEGI-UHFFFAOYSA-NSynonyms
34DIMETHYL6(N(122TRIMETHYLPROPYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
6((33dimethylbutan2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(33DIMETHYLBUTAN2YLCARBAMOYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC(C)C(C)(C)C)C(=O)O)C
InChI=1SC16H27NO3c19712(13(15(19)20)810(9)2)14(18)1711(3)16(45)6h1113H78H216H3(H1718)(H1920)
MFCD06050162
ZINC000006729656
ZINC000101779785
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