Vitas-M small molecule compound
2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683454
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccccc2Cl)C2=C(C1c1ccsc1)C(=O)CC(C2)(C)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 C25H22ClN5OS3 MW 540.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5OS3/c1-25(2)9-18-21(19(32)10-25)20(15-7-8-33-12-15)16(11-27)22(28)31(18)23-29-30-24(35-23)34-13-14-5-3-4-6-17(14)26/h3-8,12,20H,9-10,13,28H2,1-2H3InChIKey
BYKVGQRYNFTOCK-UHFFFAOYSA-NSynonyms
2amino1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)77dimethyl5oxo4(thiophen3yl)145678hexahydroquinoline3carbonitrile
2AMINO1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)77DIMETHYL5OXO4THIOPHEN3YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4Cl)N)C#N)C5=CSC=C5)C(=O)C1)C
InChI=1SC25H22ClN5OS3c125(2)91821(19(32)1025)20(1578331215)16(1127)22(28)31(18)23293024(3523)341314534617(14)26h381220H9101328H212H3
MFCD05257879
ZINC000098006093
ZINC000098006094
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