Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK002226
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CCC2)OCC1CCCO1
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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 C22H24N2O6 MW 412.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O6/c1-13-19(22(26)30-12-16-7-4-10-29-16)20(14-5-2-6-15(11-14)24(27)28)21-17(23-13)8-3-9-18(21)25/h2,5-6,11,16,20,23H,3-4,7-10,12H2,1H3InChIKey
NNGAAJKUIHBCSP-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OCC4CCCO4
InChI=1SC22H24N2O6c11319(22(26)30121674102916)20(1452615(1114)24(27)28)2117(2313)83918(21)25h25611162023H3471012H21H3
MFCD01445735
O=C(C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CCC2)OCC1CCCO1
oxolan2ylmethyl2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
STK002226
tetrahydrofuran2ylmethyl2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ZINC000001082016
ZINC000001082019
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