Vitas-M small molecule compound

3-[(2,3-dichlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

Catalog ID
STL415645
SMILES O=C1C=C(CC(C1)(C)C)Nc1cccc(c1Cl)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 C14H15Cl2NO MW 284.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15Cl2NO/c1-14(2)7-9(6-10(18)8-14)17-12-5-3-4-11(15)13(12)16/h3-6,17H,7-8H2,1-2H3
InChIKey
XKOVPXDPRUZPGN-UHFFFAOYSA-N
Synonyms
100445-54-3
100445543
2CYCLOHEXEN1ONE3((23DICHLOROPHENYL)AMINO)55DIMETHYL
3((23BIS(CHLORANYL)PHENYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
3((23DICHLOROPHENYL)AMINO)55DIMETHYL2CYCLOHEXEN1ONE
3((23dichlorophenyl)amino)55dimethylcyclohex2en1one
3(23DICHLOROANILINO)55DIMETHYL1CYCLOHEX2ENONE
3(23DICHLOROANILINO)55DIMETHYL2CYCLOHEXEN1ONE
3(23DICHLOROANILINO)55DIMETHYLCYCLOHEX2EN1ONE
3(23DICHLOROPHENYLAMINO)55DIMETHYLCYCLOHEX2ENONE
CC1(CC(=CC(=O)C1)NC2=C(C(=CC=C2)Cl)Cl)C
InChI=1SC14H15Cl2NOc114(2)79(610(18)814)171253411(15)13(12)16h3617H78H212H3
MFCD00128465
ZINC000005423875
ZINC05423875
ZINC5423875

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.