Vitas-M small molecule compound
propyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403403
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1cccs1
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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 C24H24N2O5S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O5S/c1-3-10-31-24(28)21-14(2)25-18-12-16(20-5-4-11-32-20)13-19(27)23(18)22(21)15-6-8-17(9-7-15)26(29)30/h4-9,11,16,22,25H,3,10,12-13H2,1-2H3InChIKey
QUZWRYNAKDVDGZ-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1
CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CS4)C
InChI=1SC24H24N2O5Sc13103124(28)2114(2)25181216(2054113220)1319(27)23(18)22(21)156817(9715)26(29)30h4911162225H3101213H212H3
MFCD03489228
propyl2methyl4(4nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
propyl2methyl4(4nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000002826416
ZINC000002826419
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