Vitas-M small molecule compound
3-(phenylamino)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-1-one hydrochloride
Catalog ID
STK056949
SMILES CC(Nc1ccccc1)CC(=O)C1C(C)C=CCC1(C)C.Cl
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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 C19H28ClNO MW 321.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27NO.ClH/c1-14-9-8-12-19(3,4)18(14)17(21)13-15(2)20-16-10-6-5-7-11-16;/h5-11,14-15,18,20H,12-13H2,1-4H3;1HInChIKey
KUSDGCSZVZVQNF-UHFFFAOYSA-NSynonyms
3(PHENYLAMINO)1(266TRIMETHYLCYCLOHEX3EN1YL)BUTAN1ONEHYDROCHLORIDE
3ANILINO1(266TRIMETHYLCYCLOHEX3EN1YL)BUTAN1ONEHYDROCHLORIDE
CC(Nc1ccccc1)CC(=O)C1C(C)C=CCC1(C)CCl
CC1C=CCC(C1C(=O)CC(C)NC2=CC=CC=C2)(C)CCl
InChI=1SC19H27NOClHc114981219(34)18(14)17(21)1315(2)2016106571116h51114151820H1213H214H31H
MFCD02106548
STK056949
ZINC000000052995
ZINC000004004744
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