Vitas-M small molecule compound
(2Z)-3-(1-ethyl-1H-pyrazol-5-yl)-2-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STL401981
SMILES CCn1nccc1/C=C(\c1scc(n1)C12CC3CC(C2)CC(C1)C3)/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 C21H24N4S MW 364.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4S/c1-2-25-18(3-4-23-25)8-17(12-22)20-24-19(13-26-20)21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,13-16H,2,5-7,9-11H2,1H3/b17-8-InChIKey
QSTYCEIYLSYRPM-IUXPMGMMSA-NSynonyms
(2Z)3(1ethyl1Hpyrazol5yl)2(4(tricyclo(3311~37~)dec1yl)13thiazol2yl)prop2enenitrile
(Z)2(4(1adamantyl)13thiazol2yl)3(2ethylpyrazol3yl)prop2enenitrile
CCN1C(=CC=N1)C=C(C#N)C2=NC(=CS2)C34CC5CC(C3)CC(C5)C4
CCn1nccc1C=C(c1scc(n1)C12CC3CC(C2)CC(C1)C3)C#N
InChI=1SC21H24N4Sc122518(342325)817(1222)202419(132620)21914515(1021)716(614)1121h3481316H257911H21H3b178
ZINC000098087390
ZINC98087390
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