Vitas-M small molecule compound
2-amino-4-[4-(methylsulfanyl)phenyl]-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK756932
SMILES CSc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccc(cc1)[N+](=O)[O-])C#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 C23H20N4O3S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O3S/c1-31-17-11-5-14(6-12-17)21-18(13-24)23(25)26(19-3-2-4-20(28)22(19)21)15-7-9-16(10-8-15)27(29)30/h5-12,21H,2-4,25H2,1H3InChIKey
FFYBOWNKHZBBFB-UHFFFAOYSA-NSynonyms
311790-22-42amino4(4(methylsulfanyl)phenyl)1(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(4methylsulfanylphenyl)1(4nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
311790224
CSC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)(N+)(=O)(O))N)C#N
CSc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccc(cc1)(N+)(=O)(O))C#N
InChI=1SC23H20N4O3Sc1311711514(61217)2118(1324)23(25)26(1932420(28)22(19)21)157916(10815)27(29)30h51221H2425H21H3
MFCD01305844
ZINC000008809773
ZINC000008809774
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