Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 7-(2,5-dimethoxyphenyl)-2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406920
SMILES COc1ccc(c(c1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)[N+](=O)[O-])C)C(=O)OCC1CCCO1)C)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 C31H34N2O8 MW 562.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O8/c1-17-7-8-19(13-25(17)33(36)37)29-28(31(35)41-16-22-6-5-11-40-22)18(2)32-24-12-20(14-26(34)30(24)29)23-15-21(38-3)9-10-27(23)39-4/h7-10,13,15,20,22,29,32H,5-6,11-12,14,16H2,1-4H3InChIKey
NZAHUMVDGBGOEQ-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=C(C=CC(=C4)OC)OC)NC(=C2C(=O)OCC5CCCO5)C)(N+)(=O)(O)
COc1ccc(c(c1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)(N+)(=O)(O))C)C(=O)OCC1CCCO1)C)OC
InChI=1SC31H34N2O8c1177819(1325(17)33(36)37)2928(31(35)41162265114022)18(2)32241220(1426(34)30(24)29)231521(383)91027(23)394h710131520222932H5611121416H214H3
MFCD06006938
oxolan2ylmethyl7(25dimethoxyphenyl)2methyl4(4methyl3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl7(25dimethoxyphenyl)2methyl4(4methyl3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ZINC000059620824
ZINC000239165334
Check stock
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Check stock on Vitas-MAvailable files
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