Vitas-M small molecule compound
2-[5-(3,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-fluoro-4-methylphenyl)acetamide
Catalog ID
STL081348
SMILES O=C(CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)F)F)Nc1ccc(c(c1)F)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 C19H14F3N5O3 MW 417.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14F3N5O3/c1-9-2-3-10(6-13(9)21)23-15(28)8-26-17-16(24-25-26)18(29)27(19(17)30)11-4-5-12(20)14(22)7-11/h2-7,16-17H,8H2,1H3,(H,23,28)InChIKey
IOYFDTFIIJHGHW-UHFFFAOYSA-NSynonyms
1053078-13-91053078139
2(5(34difluorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(3fluoro4methylphenyl)acetamide
2(5(34difluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(3fluoro4methylphenyl)acetamide
CC1=C(C=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)F)F)N=N2)F
InChI=1SC19H14F3N5O3c192310(613(9)21)2315(28)8261716(242526)18(29)27(19(17)30)114512(20)14(22)711h271617H8H21H3(H2328)
MFCD14749801
ZINC000009675175
ZINC000101388879
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