Vitas-M small molecule compound
methyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK022446
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(ccc1Cl)[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 C20H21ClN2O5 MW 404.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O5/c1-10-16(19(25)28-4)17(12-7-11(23(26)27)5-6-13(12)21)18-14(22-10)8-20(2,3)9-15(18)24/h5-7,17,22H,8-9H2,1-4H3InChIKey
GRJUPGPBVZEFEP-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cc(ccc1Cl)(N+)(=O)(O))C(=O)CC(C2)(C)C
InChI=1SC20H21ClN2O5c11016(19(25)284)17(12711(23(26)27)5613(12)21)1814(2210)820(23)915(18)24h571722H89H214H3
methyl4(2chloro5nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(2chloro5nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD02105269
STK022446
ZINC000019772418
ZINC000019772420
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Check stock on Vitas-MAvailable files
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