Vitas-M small molecule compound
5-amino-1-(4-bromo-2-fluorobenzyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL081554
SMILES Brc1ccc(c(c1)F)Cn1nnc(c1N)C(=O)Nc1ccc2c(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 C18H15BrFN5O3 MW 448.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrFN5O3/c19-11-2-1-10(13(20)7-11)9-25-17(21)16(23-24-25)18(26)22-12-3-4-14-15(8-12)28-6-5-27-14/h1-4,7-8H,5-6,9,21H2,(H,22,26)InChIKey
BVVAVNKQDMDZST-UHFFFAOYSA-NSynonyms
5AMINO1((4BROMO2FLUOROPHENYL)METHYL)N(23DIHYDRO14BENZODIOXIN6YL)TRIAZOLE4CARBOXAMIDE
5amino1(4bromo2fluorobenzyl)N(23dihydro14benzodioxin6yl)1H123triazole4carboxamide
C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(N(N=N3)CC4=C(C=C(C=C4)Br)F)N
InChI=1SC18H15BrFN5O3c19112110(13(20)711)92517(21)16(232425)18(26)2212341415(812)28652714h1478H56921H2(H2226)
MFCD18201712
ZINC000009608557
ZINC09608557
ZINC9608557
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