Vitas-M small molecule compound
methyl 3-{[5-(3,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]methyl}-4-methoxybenzoate
Catalog ID
STL081480
SMILES COc1ccc(cc1CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)F)F)C(=O)OC
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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 C20H16F2N4O5 MW 430.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F2N4O5/c1-30-15-6-3-10(20(29)31-2)7-11(15)9-25-17-16(23-24-25)18(27)26(19(17)28)12-4-5-13(21)14(22)8-12/h3-8,16-17H,9H2,1-2H3InChIKey
ICXKDMNISLCUNS-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C(=O)OC)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)F)F)N=N2
InChI=1SC20H16F2N4O5c130156310(20(29)312)711(15)9251716(232425)18(27)26(19(17)28)124513(21)14(22)812h381617H9H212H3
methyl3((5(34difluorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)methyl)4methoxybenzoate
methyl3((5(34difluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)methyl)4methoxybenzoate
MFCD14757284
ZINC000020215657
ZINC000095481471
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