Vitas-M small molecule compound
1,1'-{4-[(4-bromophenyl)amino]-6-hydroxy-6-methyl-2-[4-(propan-2-yl)phenyl]cyclohex-3-ene-1,3-diyl}diethanone
Catalog ID
STK764353
SMILES CC(=O)C1C(c2ccc(cc2)C(C)C)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 C26H30BrNO3 MW 484.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30BrNO3/c1-15(2)18-6-8-19(9-7-18)24-23(16(3)29)22(14-26(5,31)25(24)17(4)30)28-21-12-10-20(27)11-13-21/h6-13,15,24-25,28,31H,14H2,1-5H3InChIKey
FMRGQAVMUNOEIF-UHFFFAOYSA-NSynonyms
1(3ACETYL4(4BROMOANILINO)6HYDROXY6METHYL2(4PROPAN2YLPHENYL)CYCLOHEX3EN1YL)ETHANONE
11(4((4bromophenyl)amino)6hydroxy6methyl2(4(propan2yl)phenyl)cyclohex3ene13diyl)diethanone
13DIACETYL6((4BROMOPHENYL)AMINO)4HYDROXY4METHYL2(4(METHYLETHYL)PHENYL)CYCLOHEX1(6)ENE
CC(C)C1=CC=C(C=C1)C2C(C(CC(=C2C(=O)C)NC3=CC=C(C=C3)Br)(C)O)C(=O)C
InChI=1SC26H30BrNO3c115(2)186819(9718)2423(16(3)29)22(1426(531)25(24)17(4)30)2821121020(27)111321h6131524252831H14H215H3
MFCD02324746
ZINC000004035894
ZINC000004035897
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