Vitas-M small molecule compound
2-amino-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK776134
SMILES N#CC1=C(N)N(C2=C(C1c1cccnc1)C(=O)CCC2)c1nnc(s1)SCc1ccc(cc1)C
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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 C25H22N6OS2 MW 486.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6OS2/c1-15-7-9-16(10-8-15)14-33-25-30-29-24(34-25)31-19-5-2-6-20(32)22(19)21(18(12-26)23(31)27)17-4-3-11-28-13-17/h3-4,7-11,13,21H,2,5-6,14,27H2,1H3InChIKey
XXRJMEXGVJNHHP-UHFFFAOYSA-NSynonyms
2amino1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5oxo4(pyridin3yl)145678hexahydroquinoline3carbonitrile
2amino1(5((4methylphenyl)methylsulfanyl)134thiadiazol2yl)5oxo4pyridin3yl4678tetrahydroquinoline3carbonitrile
CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CCC4
InChI=1SC25H22N6OS2c1157916(10815)143325302924(3425)311952620(32)22(19)21(18(1226)23(31)27)174311281317h347111321H2561427H21H3
MFCD05258547
ZINC000012447720
ZINC000012447721
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