Vitas-M small molecule compound
methyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK045897
SMILES CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC
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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 C26H26ClNO5 MW 467.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClNO5/c1-4-33-21-13-17(10-18(27)25(21)30)23-22(26(31)32-3)14(2)28-19-11-16(12-20(29)24(19)23)15-8-6-5-7-9-15/h5-10,13,16,23,28,30H,4,11-12H2,1-3H3InChIKey
WMPHJDNKUVNDMC-UHFFFAOYSA-NSynonyms
312599-01-2312599012
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC)C)Cl)O
CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC
InChI=1SC26H26ClNO5c1433211317(1018(27)25(21)30)2322(26(31)323)14(2)28191116(1220(29)24(19)23)158657915h5101316232830H41112H213H3
methyl4(3chloro5ethoxy4hydroxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
methyl4(3chloro5ethoxy4hydroxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
MFCD01825056
STK045897
ZINC000009246575
ZINC000009246580
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