Vitas-M small molecule compound
pentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK332817
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)C(=O)CCC2
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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 C24H30BrNO5 MW 492.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30BrNO5/c1-4-6-7-11-31-24(29)20-14(3)26-17-9-8-10-18(27)22(17)21(20)15-12-16(25)23(28)19(13-15)30-5-2/h12-13,21,26,28H,4-11H2,1-3H3InChIKey
BRTMLCJREDQZCP-UHFFFAOYSA-NSynonyms
313244-65-4313244654
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OCC)C(=O)CCC2)C
InChI=1SC24H30BrNO5c1467113124(29)2014(3)2617981018(27)22(17)21(20)151216(25)23(28)19(1315)3052h1213212628H411H213H3
MFCD01367237
pentyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002082365
ZINC000002082366
Check stock
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Check stock on Vitas-MAvailable files
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