Vitas-M small molecule compound
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]-N-(3-fluorophenyl)acetamide
Catalog ID
STL085394
SMILES O=C(CN1N=NC2C1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)Nc1cccc(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 C20H16FN5O5 MW 425.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FN5O5/c21-11-2-1-3-12(8-11)22-16(27)10-25-18-17(23-24-25)19(28)26(20(18)29)13-4-5-14-15(9-13)31-7-6-30-14/h1-5,8-9,17-18H,6-7,10H2,(H,22,27)InChIKey
QBYBDDBHNXSDPH-UHFFFAOYSA-NSynonyms
1052558-95-81052558958
2(5(23dihydro14benzodioxin6yl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(3fluorophenyl)acetamide
2(5(23dihydro14benzodioxin6yl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(3fluorophenyl)acetamide
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C(C3=O)N(N=N4)CC(=O)NC5=CC(=CC=C5)F
InChI=1SC20H16FN5O5c211121312(811)2216(27)10251817(232425)19(28)26(20(18)29)13451415(913)31763014h15891718H6710H2(H2227)
MFCD07650239
ZINC000009748080
ZINC000095481499
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