Vitas-M small molecule compound
pentyl 4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK370769
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)C(=O)CC(C2)(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 C25H32BrNO4 MW 490.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32BrNO4/c1-6-7-8-11-31-24(29)21-15(2)27-18-13-25(3,4)14-19(28)23(18)22(21)16-9-10-20(30-5)17(26)12-16/h9-10,12,22,27H,6-8,11,13-14H2,1-5H3InChIKey
UNEJXQUKZWKKHO-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)Br)C(=O)CC(C2)(C)C)C
InChI=1SC25H32BrNO4c1678113124(29)2115(2)27181325(34)1419(28)23(18)22(21)1691020(305)17(26)1216h910122227H68111314H215H3
MFCD00325299
pentyl4(3bromo4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(3bromo4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000002028952
ZINC000002028957
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