Vitas-M small molecule compound

2-amino-1-(3-chlorophenyl)-5-oxo-4-[4-(1H-1,2,4-triazol-1-ylmethyl)thiophen-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK783140
SMILES N#CC1=C(N)N(c2cccc(c2)Cl)C2=C(C1c1scc(c1)Cn1ncnc1)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 C23H19ClN6OS MW 462.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN6OS/c24-15-3-1-4-16(8-15)30-18-5-2-6-19(31)22(18)21(17(9-25)23(30)26)20-7-14(11-32-20)10-29-13-27-12-28-29/h1,3-4,7-8,11-13,21H,2,5-6,10,26H2
InChIKey
GNHHLHPBSWAJFT-UHFFFAOYSA-N
Synonyms

2amino1(3chlorophenyl)5oxo4(4(124triazol1ylmethyl)thiophen2yl)4678tetrahydroquinoline3carbonitrile
2amino1(3chlorophenyl)5oxo4(4(1H124triazol1ylmethyl)thiophen2yl)145678hexahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)Cl)N)C#N)C4=CC(=CS4)CN5C=NC=N5)C(=O)C1
InChI=1SC23H19ClN6OSc241531416(815)301852619(31)22(18)21(17(925)23(30)26)20714(113220)10291327122829h13478111321H2561026H2
MFCD06617582
ZINC000012428728
ZINC000012428729

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Available files

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