Vitas-M small molecule compound
7-(3-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK577132
SMILES COc1ccccc1NC(=O)C1=C(C)N=c2n(C1c1cccc(c1)F)nc([nH]2)SC
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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 C21H20FN5O2S MW 425.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN5O2S/c1-12-17(19(28)24-15-9-4-5-10-16(15)29-2)18(13-7-6-8-14(22)11-13)27-20(23-12)25-21(26-27)30-3/h4-11,18H,1-3H3,(H,24,28)(H,23,25,26)InChIKey
LKZDKPAGHHTDSF-UHFFFAOYSA-NSynonyms
879775-71-07(3fluorophenyl)N(2methoxyphenyl)5methyl2(methylsulfanyl)37dihydro(124)triazolo(15a)pyrimidine6carboxamide
7(3fluorophenyl)N(2methoxyphenyl)5methyl2methylsulfanyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
879775710
CC1=C(C(N2C(=N1)N=C(N2)SC)C3=CC(=CC=C3)F)C(=O)NC4=CC=CC=C4OC
COc1ccccc1NC(=O)C1=C(C)N=c2n(C1c1cccc(c1)F)nc((nH)2)SC
InChI=1SC21H20FN5O2Sc11217(19(28)24159451016(15)292)18(1376814(22)1113)2720(2312)2521(2627)303h41118H13H3(H2428)(H232526)
MFCD18158108
ZINC000008995818
ZINC000008995819
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