Vitas-M small molecule compound
ethyl 2-ethyl-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK369436
SMILES CCOC(=O)C1=C(CC)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(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 C22H26N2O5 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O5/c1-5-15-20(21(26)29-6-2)18(13-8-7-9-14(10-13)24(27)28)19-16(23-15)11-22(3,4)12-17(19)25/h7-10,18,23H,5-6,11-12H2,1-4H3InChIKey
WQXWYBGJIKUJQL-UHFFFAOYSA-NSynonyms
CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OCC
CCOC(=O)C1=C(CC)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ethyl2ethyl77dimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ethyl2ethyl77dimethyl4(3nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC22H26N2O5c151520(21(26)2962)18(1387914(1013)24(27)28)1916(2315)1122(34)1217(19)25h7101823H561112H214H3
MFCD00340201
ZINC000003998426
ZINC000018116892
Check stock
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