Vitas-M small molecule compound
2-amino-4-[4-(1H-benzimidazol-1-ylmethyl)thiophen-2-yl]-1-(2-chloropyridin-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781937
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)Cn1cnc3c1cccc3)C(=O)CCC2)c1cccnc1Cl
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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 C27H21ClN6OS MW 513.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN6OS/c28-26-21(8-4-10-31-26)34-20-7-3-9-22(35)25(20)24(17(12-29)27(34)30)23-11-16(14-36-23)13-33-15-32-18-5-1-2-6-19(18)33/h1-2,4-6,8,10-11,14-15,24H,3,7,9,13,30H2InChIKey
SFLCVGSXSXEJOJ-UHFFFAOYSA-NSynonyms
2amino4(4(1Hbenzimidazol1ylmethyl)thiophen2yl)1(2chloropyridin3yl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(4(benzimidazol1ylmethyl)thiophen2yl)1(2chloropyridin3yl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(N=CC=C3)Cl)N)C#N)C4=CC(=CS4)CN5C=NC6=CC=CC=C65)C(=O)C1
InChI=1SC27H21ClN6OSc282621(84103126)342073922(35)25(20)24(17(1229)27(34)30)231116(143623)1333153218512619(18)33h124681011141524H3791330H2
MFCD06016212
ZINC000012360489
ZINC000012360490
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