Vitas-M small molecule compound
[{1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl}(phenyl)methyl]propanedinitrile
Catalog ID
STK002446
SMILES N#CC(C(C1C(=NN(C1=O)c1scc(n1)c1ccc(cc1)Br)C)c1ccccc1)C#N
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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 C23H16BrN5OS MW 490.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16BrN5OS/c1-14-20(21(17(11-25)12-26)16-5-3-2-4-6-16)22(30)29(28-14)23-27-19(13-31-23)15-7-9-18(24)10-8-15/h2-10,13,17,20-21H,1H3InChIKey
URNZCJCKIPIAAL-UHFFFAOYSA-NSynonyms
((1(4(4BROMOPHENYL)13THIAZOL2YL)3METHYL5OXO45DIHYDRO1HPYRAZOL4YL)(PHENYL)METHYL)PROPANEDINITRILE
2((1(4(4BROMOPHENYL)13THIAZOL2YL)3METHYL5OXO4HPYRAZOL4YL)PHENYLMETHYL)PROPANEDINITRILE
CC1=NN(C(=O)C1C(C2=CC=CC=C2)C(C#N)C#N)C3=NC(=CS3)C4=CC=C(C=C4)Br
InChI=1SC23H16BrN5OSc11420(21(17(1125)1226)165324616)22(30)29(2814)232719(133123)157918(24)10815h21013172021H1H3
MFCD02026108
N#CC(C(C1C(=NN(C1=O)c1scc(n1)c1ccc(cc1)Br)C)c1ccccc1)C#N
STK002446
ZINC000008916150
ZINC000100006126
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