Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 5-methyl-7-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK407661
SMILES CCSCCOC(=O)C1=C(C)Nc2n(C1c1cccc(c1)C(F)(F)F)ncn2
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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 C18H19F3N4O2S MW 412.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19F3N4O2S/c1-3-28-8-7-27-16(26)14-11(2)24-17-22-10-23-25(17)15(14)12-5-4-6-13(9-12)18(19,20)21/h4-6,9-10,15H,3,7-8H2,1-2H3,(H,22,23,24)InChIKey
CCEGJXXPCDBUIF-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl5methyl7(3(trifluoromethyl)phenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
2ETHYLSULFANYLETHYL5METHYL7(3(TRIFLUOROMETHYL)PHENYL)17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
2ETHYLTHIOETHYL5METHYL7(3(TRIFLUOROMETHYL)PHENYL)478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
CCSCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC(=CC=C3)C(F)(F)F)C
InChI=1SC18H19F3N4O2Sc1328872716(26)1411(2)241722102325(17)15(14)1254613(912)18(1920)21h4691015H378H212H3(H222324)
MFCD07791057
ZINC000004987093
ZINC000004987094
ZINC04987093
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