Vitas-M small molecule compound

2-amino-1-(2-chloropyridin-3-yl)-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
STK783146
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)Cn1ncnc1)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 C22H18ClN7OS MW 463.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN7OS/c23-21-16(4-2-6-27-21)30-15-3-1-5-17(31)20(15)19(14(8-24)22(30)25)18-7-13(10-32-18)9-29-12-26-11-28-29/h2,4,6-7,10-12,19H,1,3,5,9,25H2
InChIKey
GSCCDGMCSHHPAG-UHFFFAOYSA-N
Synonyms

2amino1(2chloropyridin3yl)5oxo4(4(124triazol1ylmethyl)thiophen2yl)4678tetrahydroquinoline3carbonitrile
2amino1(2chloropyridin3yl)5oxo4(4(1H124triazol1ylmethyl)thiophen2yl)145678hexahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(N=CC=C3)Cl)N)C#N)C4=CC(=CS4)CN5C=NC=N5)C(=O)C1
InChI=1SC22H18ClN7OSc232116(4262721)301531517(31)20(15)19(14(824)22(30)25)18713(103218)9291226112829h2467101219H135925H2
MFCD06617594
ZINC000012428596
ZINC000012428597

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Available files

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