Vitas-M small molecule compound
2-amino-4-(1H-indol-5-yl)-7,7-dimethyl-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK652345
SMILES N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)cc[nH]3)C(=O)CC(C2)(C)C)c1nnc(s1)SC
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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 C23H22N6OS2 MW 462.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6OS2/c1-23(2)9-16-19(17(30)10-23)18(13-4-5-15-12(8-13)6-7-26-15)14(11-24)20(25)29(16)21-27-28-22(31-3)32-21/h4-8,18,26H,9-10,25H2,1-3H3InChIKey
FWPAMEZBCGPVOX-UHFFFAOYSA-NSynonyms
1144478-47-61144478476
2amino4(1Hindol5yl)77dimethyl1(5(methylsulfanyl)134thiadiazol2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(1Hindol5yl)77dimethyl1(5(methylthio)134thiadiazol2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(1Hindol5yl)77dimethyl1(5methylsulfanyl134thiadiazol2yl)5oxo68dihydro4Hquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SC)N)C#N)C4=CC5=C(C=C4)NC=C5)C(=O)C1)C
InChI=1SC23H22N6OS2c123(2)91619(17(30)1023)18(13451512(813)672615)14(1124)20(25)29(16)21272822(313)3221h481826H91025H213H3
MFCD12216816
N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)cc(nH)3)C(=O)CC(C2)(C)C)c1nnc(s1)SC
ZINC000031820029
ZINC000031820032
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