Vitas-M small molecule compound
4-methoxybenzyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402978
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)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 C31H30N2O8S MW 590.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O8S/c1-4-40-25-15-20(13-23(30(25)35)33(37)38)28-27(31(36)41-16-18-7-9-21(39-3)10-8-18)17(2)32-22-12-19(14-24(34)29(22)28)26-6-5-11-42-26/h5-11,13,15,19,28,32,35H,4,12,14,16H2,1-3H3InChIKey
SAIQJGHRUITONW-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC5=CC=C(C=C5)OC)C
CCOc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCc1ccc(cc1)OC
InChI=1SC31H30N2O8Sc1440251520(1323(30(25)35)33(37)38)2827(31(36)4116187921(393)10818)17(2)32221219(1424(34)29(22)28)2665114226h511131519283235H4121416H213H3
MFCD03371004
ZINC000097939729
ZINC000097939732
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