Vitas-M small molecule compound
ethyl 4-({[5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetyl}amino)benzoate
Catalog ID
STL176564
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)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 C21H18FN5O5 MW 439.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN5O5/c1-2-32-21(31)12-6-8-14(9-7-12)23-16(28)11-26-18-17(24-25-26)19(29)27(20(18)30)15-5-3-4-13(22)10-15/h3-10,17-18H,2,11H2,1H3,(H,23,28)InChIKey
NGRMHTNKLNULNF-UHFFFAOYSA-NSynonyms
1024232-50-51024232505
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)F)N=N2
ethyl4(((5(3fluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetyl)amino)benzoate
ETHYL4((2(5(3FLUOROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)TRIAZOL3YL)ACETYL)AMINO)BENZOATE
InChI=1SC21H18FN5O5c123221(31)126814(9712)2316(28)11261817(242526)19(29)27(20(18)30)1553413(22)1015h3101718H211H21H3(H2328)
MFCD04049542
ZINC000002783516
ZINC000102442245
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