Vitas-M small molecule compound
cyclohexyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363280
SMILES COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC1CCCCC1
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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 C24H28BrNO5 MW 490.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28BrNO5/c1-13-20(24(29)31-15-7-4-3-5-8-15)21(22-17(26-13)9-6-10-18(22)27)14-11-16(25)23(28)19(12-14)30-2/h11-12,15,21,26,28H,3-10H2,1-2H3InChIKey
NTHOJDDTSHWATM-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OC4CCCCC4
cyclohexyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC24H28BrNO5c11320(24(29)31157435815)21(2217(2613)961018(22)27)141116(25)23(28)19(1214)302h111215212628H310H212H3
MFCD00753131
ZINC000019535919
ZINC000019535922
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