Vitas-M small molecule compound

1,1'-{4-[(4-bromophenyl)amino]-6-hydroxy-6-methyl-2-phenylcyclohex-3-ene-1,3-diyl}diethanone

Catalog ID
STK755207
SMILES CC(=O)C1C(c2ccccc2)C(=C(CC1(C)O)Nc1ccc(cc1)Br)C(=O)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 C23H24BrNO3 MW 442.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24BrNO3/c1-14(26)20-19(25-18-11-9-17(24)10-12-18)13-23(3,28)22(15(2)27)21(20)16-7-5-4-6-8-16/h4-12,21-22,25,28H,13H2,1-3H3
InChIKey
USJFJCYRBXKELW-UHFFFAOYSA-N
Synonyms

1(3ACETYL4(4BROMOANILINO)6HYDROXY6METHYL2PHENYLCYCLOHEX3EN1YL)ETHANONE
11(4((4bromophenyl)amino)6hydroxy6methyl2phenylcyclohex3ene13diyl)diethanone
CC(=O)C1C(C(=C(CC1(C)O)NC2=CC=C(C=C2)Br)C(=O)C)C3=CC=CC=C3
InChI=1SC23H24BrNO3c114(26)2019(251811917(24)101218)1323(328)22(15(2)27)21(20)167546816h41221222528H13H213H3
MFCD00827494
ZINC000000713401
ZINC000245380248

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Available files

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