Vitas-M small molecule compound
propan-2-yl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK013732
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)O)C(=O)CC(C2)c1ccccc1)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 C26H27NO4 MW 417.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO4/c1-15(2)31-26(30)23-16(3)27-21-13-19(17-7-5-4-6-8-17)14-22(29)25(21)24(23)18-9-11-20(28)12-10-18/h4-12,15,19,24,27-28H,13-14H2,1-3H3InChIKey
SNMZPUBFKFAOLY-UHFFFAOYSA-NSynonyms
CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)O)C(=O)CC(C2)c1ccccc1)C
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)O)C(=O)OC(C)C
InChI=1SC26H27NO4c115(2)3126(30)2316(3)27211319(177546817)1422(29)25(21)24(23)1891120(28)121018h4121519242728H1314H213H3
MFCD00771310
propan2yl4(4hydroxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
propan2yl4(4hydroxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
STK013732
ZINC000019830854
ZINC000019830857
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