Vitas-M small molecule compound
2-methoxyethyl 2-(benzylsulfanyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK217670
SMILES COCCOC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)F)nc(n2)SCc1ccccc1
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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 C23H23FN4O3S MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23FN4O3S/c1-15-19(21(29)31-13-12-30-2)20(17-8-10-18(24)11-9-17)28-22(25-15)26-23(27-28)32-14-16-6-4-3-5-7-16/h3-11,20H,12-14H2,1-2H3,(H,25,26,27)InChIKey
LFUHPNDMDSDNHW-UHFFFAOYSA-NSynonyms
2methoxyethyl2(benzylsulfanyl)7(4fluorophenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
2METHOXYETHYL2BENZYLSULFANYL7(4FLUOROPHENYL)5METHYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
2METHOXYETHYL7(4FLUOROPHENYL)5METHYL2(PHENYLMETHYLTHIO)478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)F)C(=O)OCCOC
InChI=1SC23H23FN4O3Sc11519(21(29)311312302)20(1781018(24)11917)2822(2515)2623(2728)3214166435716h31120H1214H212H3(H252627)
MFCD06593137
ZINC000002441575
ZINC000010059680
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