Vitas-M small molecule compound

2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK778464
SMILES N#CC1=C(N)N(c2nnc(s2)SC(C)C)C2=C(C1c1cnn(c1C)C)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 C20H23N7OS2 MW 441.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N7OS2/c1-10(2)29-20-25-24-19(30-20)27-14-6-5-7-15(28)17(14)16(12(8-21)18(27)22)13-9-23-26(4)11(13)3/h9-10,16H,5-7,22H2,1-4H3
InChIKey
HNOUAAPVBBWAEB-UHFFFAOYSA-N
Synonyms

2amino4(15dimethyl1Hpyrazol4yl)5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2amino4(15dimethylpyrazol4yl)5oxo1(5propan2ylsulfanyl134thiadiazol2yl)4678tetrahydroquinoline3carbonitrile
CC1=C(C=NN1C)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SC(C)C)N)C#N
InChI=1SC20H23N7OS2c110(2)2920252419(3020)271465715(28)17(14)16(12(821)18(27)22)1392326(4)11(13)3h91016H5722H214H3
MFCD05856669
ZINC000012372541
ZINC000012372542

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Available files

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