Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 7-(2-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403123
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)[N+](=O)[O-])C(=O)OCCOC(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 C29H32N2O7 MW 520.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O7/c1-17(2)37-12-13-38-29(33)26-18(3)30-23-15-20(22-10-5-6-11-25(22)36-4)16-24(32)28(23)27(26)19-8-7-9-21(14-19)31(34)35/h5-11,14,17,20,27,30H,12-13,15-16H2,1-4H3InChIKey
DPWHVZASUOGWJZ-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl7(2methoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2propan2yloxyethyl7(2methoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCCOC(C)C
COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)(N+)(=O)(O))C(=O)OCCOC(C)C)C
InChI=1SC29H32N2O7c117(2)3712133829(33)2618(3)30231520(2210561125(22)364)1624(32)28(23)27(26)1987921(1419)31(34)35h5111417202730H12131516H214H3
MFCD03371096
ZINC000002784377
ZINC000002784380
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