Vitas-M small molecule compound
4-methoxybenzyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK072363
SMILES CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccc(cc1)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 C27H28ClNO6 MW 497.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO6/c1-4-34-22-13-17(12-19(28)26(22)31)24-23(15(2)29-20-6-5-7-21(30)25(20)24)27(32)35-14-16-8-10-18(33-3)11-9-16/h8-13,24,29,31H,4-7,14H2,1-3H3InChIKey
ZGTSKIXJAQDOFN-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(3chloro5ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl4(3chloro5ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)Cl)O
CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccc(cc1)OC
InChI=1SC27H28ClNO6c1434221317(1219(28)26(22)31)2423(15(2)292065721(30)25(20)24)27(32)35141681018(333)11916h813242931H4714H213H3
MFCD01824434
STK072363
ZINC000009010201
ZINC000009010202
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