Vitas-M small molecule compound
methyl 7-(3,4-difluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STL190967
SMILES COC(=O)C1=C(C)Nc2n(C1c1ccc(c(c1)F)F)nnn2
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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 C13H11F2N5O2 MW 307.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11F2N5O2/c1-6-10(12(21)22-2)11(20-13(16-6)17-18-19-20)7-3-4-8(14)9(15)5-7/h3-5,11H,1-2H3,(H,16,17,19)InChIKey
GXAJCKKHVRSAQH-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=N1)N=NN2)C3=CC(=C(C=C3)F)F)C(=O)OC
InChI=1SC13H11F2N5O2c1610(12(21)222)11(2013(166)17181920)7348(14)9(15)57h3511H12H3(H161719)
methyl7(34difluorophenyl)5methyl17dihydrotetrazolo(15a)pyrimidine6carboxylate
methyl7(34difluorophenyl)5methyl47dihydrotetrazolo(15a)pyrimidine6carboxylate
MFCD22390158
ZINC000045896190
ZINC000045896191
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