Vitas-M small molecule compound
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757181
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)F)C(=O)CCC2)c1sc2c(c1C#N)CCCCC2
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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 C26H23FN4OS MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN4OS/c27-16-11-9-15(10-12-16)23-19(14-29)25(30)31(20-6-4-7-21(32)24(20)23)26-18(13-28)17-5-2-1-3-8-22(17)33-26/h9-12,23H,1-8,30H2InChIKey
MONJWLILAJCQDK-UHFFFAOYSA-NSynonyms
312267-24-62amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(4fluorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(4fluorophenyl)5oxo4678tetrahydroquinoline3carbonitrile
312267246
C1CCC2=C(CC1)SC(=C2C#N)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)F)C(=O)CCC4
InChI=1SC26H23FN4OSc271611915(101216)2319(1429)25(30)31(2064721(32)24(20)23)2618(1328)175213822(17)3326h91223H1830H2
MFCD01240700
ZINC000000714790
ZINC000000714791
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