Vitas-M small molecule compound
2-ethoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK067575
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C29H31BrClNO6 MW 604.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31BrClNO6/c1-4-36-10-11-38-29(35)25-16(3)32-22-13-18(17-6-8-20(31)9-7-17)14-23(33)27(22)26(25)19-12-21(30)28(34)24(15-19)37-5-2/h6-9,12,15,18,26,32,34H,4-5,10-11,13-14H2,1-3H3InChIKey
VFNCMGGDZGDMLW-UHFFFAOYSA-NSynonyms
312597-31-22ethoxyethyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
312597312
CCOCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)C(=O)CC(C2)c1ccc(cc1)Cl
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OCC)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC29H31BrClNO6c143610113829(35)2516(3)32221318(176820(31)9717)1423(33)27(22)26(25)191221(30)28(34)24(1519)3752h69121518263234H4510111314H213H3
MFCD01824438
STK067575
ZINC000100576004
ZINC000100576010
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