Vitas-M small molecule compound
2-methoxyethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402948
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[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 C24H24N2O6S MW 468.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O6S/c1-14-21(24(28)32-9-8-31-2)22(15-5-3-6-17(11-15)26(29)30)23-18(25-14)12-16(13-19(23)27)20-7-4-10-33-20/h3-7,10-11,16,22,25H,8-9,12-13H2,1-2H3InChIKey
AEVPSSRYMXFQQP-UHFFFAOYSA-NSynonyms
2methoxyethyl2methyl4(3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2methoxyethyl2methyl4(3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1
InChI=1SC24H24N2O6Sc11421(24(28)3298312)22(1553617(1115)26(29)30)2318(2514)1216(1319(23)27)2074103320h371011162225H891213H212H3
MFCD03370975
ZINC000002727277
ZINC000002727280
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