Vitas-M small molecule compound
{[5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-4-yl](phenyl)methyl}propanedinitrile
Catalog ID
STK033949
SMILES N#CC(C(C1C(=O)N(N=C1c1ccccc1)c1scc(n1)c1ccccc1)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 C28H19N5OS MW 473.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19N5OS/c29-16-22(17-30)24(20-12-6-2-7-13-20)25-26(21-14-8-3-9-15-21)32-33(27(25)34)28-31-23(18-35-28)19-10-4-1-5-11-19/h1-15,18,22,24-25HInChIKey
GKTZEURUUFGISS-UHFFFAOYSA-NSynonyms
((5OXO3PHENYL1(4PHENYL13THIAZOL2YL)45DIHYDRO1HPYRAZOL4YL)(PHENYL)METHYL)PROPANEDINITRILE
2((5OXO3PHENYL1(4PHENYL13THIAZOL2YL)4HPYRAZOL4YL)PHENYLMETHYL)PROPANEDINITRILE
C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=N3)C4=CC=CC=C4)C(C5=CC=CC=C5)C(C#N)C#N
InChI=1SC28H19N5OSc291622(1730)24(20126271320)2526(21148391521)3233(27(25)34)283123(183528)19104151119h11518222425H
MFCD02026167
N#CC(C(C1C(=O)N(N=C1c1ccccc1)c1scc(n1)c1ccccc1)c1ccccc1)C#N
STK033949
ZINC000012377012
ZINC000100006253
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