Vitas-M small molecule compound
2-amino-4-[4-(1H-benzimidazol-1-ylmethyl)thiophen-2-yl]-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK686938
SMILES N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1scc(c1)Cn1cnc3c1cccc3)C(=O)CCC2
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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 C28H22N6O3S MW 522.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N6O3S/c29-13-20-26(25-11-17(15-38-25)14-32-16-31-21-7-1-2-8-22(21)32)27-23(9-4-10-24(27)35)33(28(20)30)18-5-3-6-19(12-18)34(36)37/h1-3,5-8,11-12,15-16,26H,4,9-10,14,30H2InChIKey
IOPJLZWHNLMTNE-UHFFFAOYSA-NSynonyms
2amino4(4(1Hbenzimidazol1ylmethyl)thiophen2yl)1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(4(benzimidazol1ylmethyl)thiophen2yl)1(3nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CC(=CS4)CN5C=NC6=CC=CC=C65)C(=O)C1
InChI=1SC28H22N6O3Sc29132026(251117(153825)1432163121712822(21)32)2723(941024(27)35)33(28(20)30)1853619(1218)34(36)37h13581112151626H49101430H2
MFCD06616849
N#CC1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1scc(c1)Cn1cnc3c1cccc3)C(=O)CCC2
ZINC000098008124
ZINC000098008125
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