Vitas-M small molecule compound
propan-2-yl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK092249
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])O)C(=O)CC(C2)(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 C22H26N2O6 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O6/c1-11(2)30-21(27)18-12(3)23-14-9-22(4,5)10-17(26)20(14)19(18)13-6-7-16(25)15(8-13)24(28)29/h6-8,11,19,23,25H,9-10H2,1-5H3InChIKey
VBMIRVIKRPHTOE-UHFFFAOYSA-NSynonyms
CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)(C)C)C
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)O)(N+)(=O)(O))C(=O)OC(C)C
InChI=1SC22H26N2O6c111(2)3021(27)1812(3)2314922(45)1017(26)20(14)19(18)136716(25)15(813)24(28)29h6811192325H910H215H3
MFCD00622817
propan2yl4(4hydroxy3nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(4hydroxy3nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK092249
ZINC000019227911
ZINC000019227914
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