Vitas-M small molecule compound
3-[(3-chloro-4-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STK007825
SMILES O=C1C=C(Nc2ccc(c(c2)Cl)C)CC(C1)(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 C15H18ClNO MW 263.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18ClNO/c1-10-4-5-11(7-14(10)16)17-12-6-13(18)9-15(2,3)8-12/h4-7,17H,8-9H2,1-3H3InChIKey
LEGBHXGPDYDBEO-UHFFFAOYSA-NSynonyms
166883-86-9166883869
3((3CHLORO4METHYLPHENYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
3(3CHLORO4METHYLANILINO)55DIMETHYL2CYCLOHEXEN1ONE
3(3CHLORO4METHYLANILINO)55DIMETHYLCYCLOHEX2EN1ONE
CC1=C(C=C(C=C1)NC2=CC(=O)CC(C2)(C)C)Cl
InChI=1SC15H18ClNOc1104511(714(10)16)1712613(18)915(23)812h4717H89H213H3
MFCD03016373
O=C1C=C(Nc2ccc(c(c2)Cl)C)CC(C1)(C)C
STK007825
ZINC000000356525
ZINC00356525
ZINC356525
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