Vitas-M small molecule compound
2-amino-1-(4-ethoxy-2-nitrophenyl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174866
SMILES CCOc1ccc(c(c1)[N+](=O)[O-])N1C(=C(C#N)C(C2=C1CC(CC2=O)c1ccccc1)c1ccc(cc1)SC)N
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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 C31H28N4O4S MW 552.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O4S/c1-3-39-22-11-14-25(26(17-22)35(37)38)34-27-15-21(19-7-5-4-6-8-19)16-28(36)30(27)29(24(18-32)31(34)33)20-9-12-23(40-2)13-10-20/h4-14,17,21,29H,3,15-16,33H2,1-2H3InChIKey
DWDJYCSLUMMHKX-UHFFFAOYSA-NSynonyms
444926-73-22amino1(4ethoxy2nitrophenyl)4(4(methylsulfanyl)phenyl)5oxo7phenyl145678hexahydroquinoline3carbonitrile
2amino1(4ethoxy2nitrophenyl)4(4methylsulfanylphenyl)5oxo7phenyl4678tetrahydroquinoline3carbonitrile
444926732
CCOC1=CC(=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)SC)C(=O)CC(C3)C5=CC=CC=C5)(N+)(=O)(O)
CCOc1ccc(c(c1)(N+)(=O)(O))N1C(=C(C#N)C(C2=C1CC(CC2=O)c1ccccc1)c1ccc(cc1)SC)N
InChI=1SC31H28N4O4Sc133922111425(26(1722)35(37)38)34271521(197546819)1628(36)30(27)29(24(1832)31(34)33)2091223(402)131020h414172129H3151633H212H3
MFCD03071005
ZINC000008456010
ZINC000008456013
Check stock
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Check stock on Vitas-MAvailable files
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