Vitas-M small molecule compound
N-(2,5-difluorophenyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STL193032
SMILES O=C(Nc1cc(F)ccc1F)CN1N=NC2C1C(=O)N(C2=O)c1ccc2c(c1)OCCO2
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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 C20H15F2N5O5 MW 443.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15F2N5O5/c21-10-1-3-12(22)13(7-10)23-16(28)9-26-18-17(24-25-26)19(29)27(20(18)30)11-2-4-14-15(8-11)32-6-5-31-14/h1-4,7-8,17-18H,5-6,9H2,(H,23,28)InChIKey
RRFGCGIFDIMFEG-UHFFFAOYSA-NSynonyms
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C(C3=O)N(N=N4)CC(=O)NC5=C(C=CC(=C5)F)F
InChI=1SC20H15F2N5O5c21101312(22)13(710)2316(28)9261817(242526)19(29)27(20(18)30)11241415(811)32653114h14781718H569H2(H2328)
MFCD22390853
N(25difluorophenyl)2(5(23dihydro14benzodioxin6yl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(25difluorophenyl)2(5(23dihydro14benzodioxin6yl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000022766152
ZINC000101352894
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