Vitas-M small molecule compound
3-[(4-bromo-2-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STK074816
SMILES O=C1C=C(Nc2ccc(cc2Cl)Br)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 C14H15BrClNO MW 328.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15BrClNO/c1-14(2)7-10(6-11(18)8-14)17-13-4-3-9(15)5-12(13)16/h3-6,17H,7-8H2,1-2H3InChIKey
YQZVMYYHBBUSSS-UHFFFAOYSA-NSynonyms
3((4BROMO2CHLOROPHENYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
3(4BROMO2CHLOROANILINO)55DIMETHYLCYCLOHEX2EN1ONE
CC1(CC(=CC(=O)C1)NC2=C(C=C(C=C2)Br)Cl)C
InChI=1SC14H15BrClNOc114(2)710(611(18)814)1713439(15)512(13)16h3617H78H212H3
MFCD03032443
O=C1C=C(Nc2ccc(cc2Cl)Br)CC(C1)(C)C
STK074816
ZINC000004600209
ZINC04600209
ZINC4600209
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