Vitas-M small molecule compound
propan-2-yl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK022467
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])C)C(=O)CCC2)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 C21H24N2O5 MW 384.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5/c1-11(2)28-21(25)18-13(4)22-15-6-5-7-17(24)20(15)19(18)14-9-8-12(3)16(10-14)23(26)27/h8-11,19,22H,5-7H2,1-4H3InChIKey
HMTJTBOKYRGAKG-UHFFFAOYSA-NSynonyms
312698-36-5312698365
CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))C)C(=O)CCC2)C
CC1=C(C=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OC(C)C)C)(N+)(=O)(O)
InChI=1SC21H24N2O5c111(2)2821(25)1813(4)221565717(24)20(15)19(18)149812(3)16(1014)23(26)27h8111922H57H214H3
MFCD01975536
propan2yl2methyl4(4methyl3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
propan2yl2methyl4(4methyl3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
STK022467
ZINC000001215316
ZINC000001215319
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