Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403234
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1Cl
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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 C27H27ClN2O5S MW 527.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O5S/c1-3-36-12-11-35-27(32)24-16(2)29-22-14-18(20-9-4-5-10-21(20)28)15-23(31)26(22)25(24)17-7-6-8-19(13-17)30(33)34/h4-10,13,18,25,29H,3,11-12,14-15H2,1-2H3InChIKey
KMPITDRFWLWQNO-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl7(2chlorophenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl7(2chlorophenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1Cl
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CC=C4Cl)C
InChI=1SC27H27ClN2O5Sc133612113527(32)2416(2)29221418(209451021(20)28)1523(31)26(22)25(24)1776819(1317)30(33)34h41013182529H311121415H212H3
MFCD03312463
ZINC000002762141
ZINC000002762144
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