Vitas-M small molecule compound
ethyl 2-({[5-(3,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetyl}amino)benzoate
Catalog ID
STL081359
SMILES CCOC(=O)c1ccccc1NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)F)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 C21H17F2N5O5 MW 457.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F2N5O5/c1-2-33-21(32)12-5-3-4-6-15(12)24-16(29)10-27-18-17(25-26-27)19(30)28(20(18)31)11-7-8-13(22)14(23)9-11/h3-9,17-18H,2,10H2,1H3,(H,24,29)InChIKey
WRUIBFRMSNSWCK-UHFFFAOYSA-NSynonyms
1052608-03-31052608033
CCOC(=O)C1=CC=CC=C1NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)F)F)N=N2
ethyl2(((5(34difluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetyl)amino)benzoate
ethyl2((2(5(34difluorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetyl)amino)benzoate
InChI=1SC21H17F2N5O5c123321(32)12534615(12)2416(29)10271817(252627)19(30)28(20(18)31)117813(22)14(23)911h391718H210H21H3(H2429)
MFCD07656028
ZINC000009675234
ZINC000101169570
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