Vitas-M small molecule compound
2-phenylethyl 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
STK402900
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCCc1ccccc1
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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 C31H30N2O7S MW 574.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O7S/c1-3-39-25-17-21(15-23(30(25)35)33(37)38)28-27(31(36)40-12-11-19-8-5-4-6-9-19)18(2)32-22-14-20(16-24(34)29(22)28)26-10-7-13-41-26/h4-10,13,15,17,20,28,32,35H,3,11-12,14,16H2,1-2H3InChIKey
RRLYUKPELBVMDM-UHFFFAOYSA-NSynonyms
2phenylethyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenylethyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCCC5=CC=CC=C5)C
CCOc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCCc1ccccc1
InChI=1SC31H30N2O7Sc1339251721(1523(30(25)35)33(37)38)2827(31(36)401211198546919)18(2)32221420(1624(34)29(22)28)26107134126h41013151720283235H311121416H212H3
MFCD03370938
ZINC000097939993
ZINC000097939996
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