Vitas-M small molecule compound
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757237
SMILES CSc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCCC2)C#N
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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 C27H26N4OS2 MW 486.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4OS2/c1-33-17-12-10-16(11-13-17)24-20(15-29)26(30)31(21-7-5-8-22(32)25(21)24)27-19(14-28)18-6-3-2-4-9-23(18)34-27/h10-13,24H,2-9,30H2,1H3InChIKey
UYEFBRHCOOLMRS-UHFFFAOYSA-NSynonyms
311797-48-52amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(4methylsulfanylphenyl)5oxo4678tetrahydroquinoline3carbonitrile
311797485
CSC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCC5)C#N)N)C#N
InChI=1SC27H26N4OS2c13317121016(111317)2420(1529)26(30)31(2175822(32)25(21)24)2719(1428)186324923(18)3427h101324H2930H21H3
MFCD01239834
ZINC000002573697
ZINC000003664813
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