Vitas-M small molecule compound
propan-2-yl 7-(2-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403046
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)C)C
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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 C27H28N2O6 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O6/c1-15(2)35-27(31)24-16(3)28-21-13-18(20-10-5-6-11-23(20)34-4)14-22(30)26(21)25(24)17-8-7-9-19(12-17)29(32)33/h5-12,15,18,25,28H,13-14H2,1-4H3InChIKey
QICOLYFRIZTQQN-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC(C)C
COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)(N+)(=O)(O))C(=O)OC(C)C)C
InChI=1SC27H28N2O6c115(2)3527(31)2416(3)28211318(2010561123(20)344)1422(30)26(21)25(24)1787919(1217)29(32)33h51215182528H1314H214H3
MFCD03371054
propan2yl7(2methoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
propan2yl7(2methoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000001434622
ZINC000001434625
ZINC01434622
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