Vitas-M small molecule compound
methyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371108
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[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 C20H22N2O6 MW 386.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O6/c1-10-16(19(25)28-4)17(11-5-6-14(23)13(7-11)22(26)27)18-12(21-10)8-20(2,3)9-15(18)24/h5-7,17,21,23H,8-9H2,1-4H3InChIKey
MKOCHHZBQPEFGS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)O)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)(C)C
InChI=1SC20H22N2O6c11016(19(25)284)17(115614(23)13(711)22(26)27)1812(2110)820(23)915(18)24h57172123H89H214H3
methyl4(4hydroxy3nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4hydroxy3nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00352940
ZINC000100334945
ZINC000100334949
Check stock
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Check stock on Vitas-MAvailable files
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