Vitas-M small molecule compound
2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK595445
SMILES O=C(Nc1ccccc1C(F)(F)F)CSc1nnc(n1N)c1[nH]nc2c1CCC2
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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 C17H16F3N7OS MW 423.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F3N7OS/c18-17(19,20)10-5-1-2-6-12(10)22-13(28)8-29-16-26-25-15(27(16)21)14-9-4-3-7-11(9)23-24-14/h1-2,5-6H,3-4,7-8,21H2,(H,22,28)(H,23,24)InChIKey
ZMXSMNWWXMMKEO-UHFFFAOYSA-NSynonyms
902028-62-02((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)N(2(trifluoromethyl)phenyl)acetamide
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)N(2(trifluoromethyl)phenyl)acetamide
2((4amino5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)N(2(trifluoromethyl)phenyl)acetamide
2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL3YLTHIO))N(2(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
902028620
C1CC2=C(C1)NN=C2C3=NN=C(N3N)SCC(=O)NC4=CC=CC=C4C(F)(F)F
InChI=1SC17H16F3N7OSc1817(1920)10512612(10)2213(28)82916262515(27(16)21)14943711(9)232414h1256H347821H2(H2228)(H2324)
MFCD07208747
O=C(Nc1ccccc1C(F)(F)F)CSc1nnc(n1N)c1(nH)nc2c1CCC2
O=C(Nc1ccccc1C(F)(F)F)CSc1nnc(n1N)c1n(nH)c2c1CCC2
ZINC000009187165
ZINC09187165
ZINC9187165
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.