Vitas-M small molecule compound
2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK776131
SMILES N#CC1=C(N)N(C2=C(C1c1ccccc1)C(=O)CCC2)c1nnc(s1)SCc1ccccc1Cl
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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 C25H20ClN5OS2 MW 506.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN5OS2/c26-18-10-5-4-9-16(18)14-33-25-30-29-24(34-25)31-19-11-6-12-20(32)22(19)21(17(13-27)23(31)28)15-7-2-1-3-8-15/h1-5,7-10,21H,6,11-12,14,28H2InChIKey
VFUPHYBYWJHXSO-UHFFFAOYSA-NSynonyms
2amino1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)5oxo4phenyl145678hexahydroquinoline3carbonitrile
2amino1(5((2chlorophenyl)methylsulfanyl)134thiadiazol2yl)5oxo4phenyl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4Cl)N)C#N)C5=CC=CC=C5)C(=O)C1
InChI=1SC25H20ClN5OS2c26181054916(18)143325302924(3425)31191161220(32)22(19)21(17(1327)23(31)28)157213815h1571021H611121428H2
MFCD05258544
ZINC000012376101
ZINC000012376102
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