Vitas-M small molecule compound
2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683697
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)(C)C)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 C28H26ClN5OS3 MW 580.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN5OS3/c1-28(2)12-21-24(22(35)13-28)23(16-8-10-18(36-3)11-9-16)19(14-30)25(31)34(21)26-32-33-27(38-26)37-15-17-6-4-5-7-20(17)29/h4-11,23H,12-13,15,31H2,1-3H3InChIKey
PWNOEIWTORCMRJ-UHFFFAOYSA-NSynonyms
2amino1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)77dimethyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)77DIMETHYL4(4METHYLSULFANYLPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4Cl)N)C#N)C5=CC=C(C=C5)SC)C(=O)C1)C
InChI=1SC28H26ClN5OS3c128(2)122124(22(35)1328)23(1681018(363)11916)19(1430)25(31)34(21)26323327(3826)371517645720(17)29h41123H12131531H213H3
MFCD05258577
ZINC000098006241
ZINC000098006242
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