Vitas-M small molecule compound
2-amino-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK776153
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccc(cc2)Cl)C2=C(C1c1ccsc1)C(=O)CCC2
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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 C23H18ClN5OS3 MW 512.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN5OS3/c24-15-6-4-13(5-7-15)11-32-23-28-27-22(33-23)29-17-2-1-3-18(30)20(17)19(14-8-9-31-12-14)16(10-25)21(29)26/h4-9,12,19H,1-3,11,26H2InChIKey
CEJGVQIAMFCSND-UHFFFAOYSA-NSynonyms
2amino1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)5oxo4(thiophen3yl)145678hexahydroquinoline3carbonitrile
2amino1(5((4chlorophenyl)methylsulfanyl)134thiadiazol2yl)5oxo4thiophen3yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=C(C=C4)Cl)N)C#N)C5=CSC=C5)C(=O)C1
InChI=1SC23H18ClN5OS3c24156413(5715)113223282722(3323)291721318(30)20(17)19(1489311214)16(1025)21(29)26h491219H131126H2
MFCD05258585
ZINC000012374470
ZINC000012374471
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