Vitas-M small molecule compound
2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}-N-(2-fluorophenyl)acetamide
Catalog ID
STL081439
SMILES O=C(Nc1ccccc1F)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)C(C)C
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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 C21H20FN5O3 MW 409.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN5O3/c1-12(2)13-7-9-14(10-8-13)27-20(29)18-19(21(27)30)26(25-24-18)11-17(28)23-16-6-4-3-5-15(16)22/h3-10,12,18-19H,11H2,1-2H3,(H,23,28)InChIKey
SREMPAPMIXZUDN-UHFFFAOYSA-NSynonyms
1008245-04-21008245042
2(46dioxo5(4(propan2yl)phenyl)4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(2fluorophenyl)acetamide
2(46dioxo5(4propan2ylphenyl)3a6adihydropyrrolo(34d)triazol3yl)N(2fluorophenyl)acetamide
CC(C)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC=CC=C4F
InChI=1SC21H20FN5O3c112(2)137914(10813)2720(29)1819(21(27)30)26(252418)1117(28)2316643515(16)22h310121819H11H212H3(H2328)
MFCD07655818
ZINC000004483846
ZINC000101168405
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