Vitas-M small molecule compound
butan-2-yl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK048131
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1)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 C27H28N2O5 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5/c1-4-16(2)34-27(31)24-17(3)28-22-14-20(18-8-6-5-7-9-18)15-23(30)26(22)25(24)19-10-12-21(13-11-19)29(32)33/h5-13,16,20,25,28H,4,14-15H2,1-3H3InChIKey
BNQFGZIJEPHMLQ-UHFFFAOYSA-NSynonyms
butan2yl2methyl4(4nitrophenyl)5oxo7phenyl145678hexahydroquinoline3carboxylate
butan2yl2methyl4(4nitrophenyl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CC=C4)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1)C
InChI=1SC27H28N2O5c1416(2)3427(31)2417(3)28221420(188657918)1523(30)26(22)25(24)19101221(131119)29(32)33h51316202528H41415H213H3
MFCD01471027
STK048131
ZINC000000848113
ZINC000035973796
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