Vitas-M small molecule compound
2-amino-4-[4-(1H-benzimidazol-1-ylmethyl)thiophen-2-yl]-1-(3-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781156
SMILES N#CC1=C(N)N(c2cccc(c2)Cl)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 C28H22ClN5OS MW 512.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN5OS/c29-18-5-3-6-19(12-18)34-23-9-4-10-24(35)27(23)26(20(13-30)28(34)31)25-11-17(15-36-25)14-33-16-32-21-7-1-2-8-22(21)33/h1-3,5-8,11-12,15-16,26H,4,9-10,14,31H2InChIKey
HBDWBROMSGXMPD-UHFFFAOYSA-NSynonyms
2amino4(4(1Hbenzimidazol1ylmethyl)thiophen2yl)1(3chlorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(4(benzimidazol1ylmethyl)thiophen2yl)1(3chlorophenyl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)Cl)N)C#N)C4=CC(=CS4)CN5C=NC6=CC=CC=C65)C(=O)C1
InChI=1SC28H22ClN5OSc291853619(1218)3423941024(35)27(23)26(20(1330)28(34)31)251117(153625)1433163221712822(21)33h13581112151626H49101431H2
MFCD06014409
ZINC000001432828
ZINC000001432829
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