Vitas-M small molecule compound
N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STL094764
SMILES O=C(Nc1cccc(c1C)C)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)F
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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 C20H18FN5O3 MW 395.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN5O3/c1-11-4-3-5-15(12(11)2)22-16(27)10-25-18-17(23-24-25)19(28)26(20(18)29)14-8-6-13(21)7-9-14/h3-9,17-18H,10H2,1-2H3,(H,22,27)InChIKey
IBLRJJSSVNEOTC-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)F)N=N2)C
InChI=1SC20H18FN5O3c11143515(12(11)2)2216(27)10251817(232425)19(28)26(20(18)29)148613(21)7914h391718H10H212H3(H2227)
MFCD14749789
N(23dimethylphenyl)2(5(4fluorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(23dimethylphenyl)2(5(4fluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000004969754
ZINC000101388147
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