Vitas-M small molecule compound
{[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl}propanedinitrile
Catalog ID
STK088918
SMILES N#CC(C(C1C(=NN(C1=O)c1scc(n1)c1ccccc1)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 C23H17N5OS MW 411.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N5OS/c1-15-20(21(18(12-24)13-25)17-10-6-3-7-11-17)22(29)28(27-15)23-26-19(14-30-23)16-8-4-2-5-9-16/h2-11,14,18,20-21H,1H3InChIKey
PNDYBHBJLRGCNV-UHFFFAOYSA-NSynonyms
((3METHYL5OXO1(4PHENYL(13THIAZOL2YL))(2PYRAZOLIN4YL))PHENYLMETHYL)METHANE11DICARBONITRILE
((3METHYL5OXO1(4PHENYL13THIAZOL2YL)45DIHYDRO1HPYRAZOL4YL)(PHENYL)METHYL)PROPANEDINITRILE
2((3METHYL5OXO1(4PHENYL13THIAZOL2YL)4HPYRAZOL4YL)PHENYLMETHYL)PROPANEDINITRILE
CC1=NN(C(=O)C1C(C2=CC=CC=C2)C(C#N)C#N)C3=NC(=CS3)C4=CC=CC=C4
InChI=1SC23H17N5OSc11520(21(18(1224)1325)17106371117)22(29)28(2715)232619(143023)168425916h21114182021H1H3
MFCD02026132
N#CC(C(C1C(=NN(C1=O)c1scc(n1)c1ccccc1)C)c1ccccc1)C#N
STK088918
ZINC000001088072
ZINC000100006185
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