Vitas-M small molecule compound
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129641
SMILES O=C(Cn1nnc(c1C)C(=O)Nc1ccc(c(c1)F)C)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 C21H20FN5O4 MW 425.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN5O4/c1-12-3-4-14(9-16(12)22)24-21(29)20-13(2)27(26-25-20)11-19(28)23-15-5-6-17-18(10-15)31-8-7-30-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,28)(H,24,29)InChIKey
NABDANDMNPFNHR-UHFFFAOYSA-NSynonyms
1(2(23dihydro14benzodioxin6ylamino)2oxoethyl)N(3fluoro4methylphenyl)5methyl1H123triazole4carboxamide
1(2(23dihydro14benzodioxin6ylamino)2oxoethyl)N(3fluoro4methylphenyl)5methyltriazole4carboxamide
CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC4=C(C=C3)OCCO4)C)F
InChI=1SC21H20FN5O4c1123414(916(12)22)2421(29)2013(2)27(262520)1119(28)2315561718(1015)31873017h36910H7811H212H3(H2328)(H2429)
MFCD20747493
ZINC000067322488
ZINC67322488
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