Vitas-M small molecule compound
(2E)-3-(1-ethyl-4-methyl-1H-pyrazol-3-yl)-2-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STL399470
SMILES N#C/C(=C\c1nn(cc1C)CC)/c1scc(n1)C12CC3CC(C2)CC(C1)C3
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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 C22H26N4S MW 378.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4S/c1-3-26-12-14(2)19(25-26)7-18(11-23)21-24-20(13-27-21)22-8-15-4-16(9-22)6-17(5-15)10-22/h7,12-13,15-17H,3-6,8-10H2,1-2H3/b18-7+InChIKey
FQQRYSMYDOZTON-CNHKJKLMSA-NSynonyms
(2E)3(1ethyl4methyl1Hpyrazol3yl)2(4(tricyclo(3311~37~)dec1yl)13thiazol2yl)prop2enenitrile
(E)2(4(1adamantyl)13thiazol2yl)3(1ethyl4methylpyrazol3yl)prop2enenitrile
CCN1C=C(C(=N1)C=C(C#N)C2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)C
InChI=1SC22H26N4Sc13261214(2)19(2526)718(1123)212420(132721)22815416(922)617(515)1022h712131517H36810H212H3b187+
N#CC(=Cc1nn(cc1C)CC)c1scc(n1)C12CC3CC(C2)CC(C1)C3
ZINC000096577713
ZINC96577713
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