Vitas-M small molecule compound
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129653
SMILES CCOc1ccccc1NC(=O)c1nnn(c1C)CC(=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 C22H23N5O5 MW 437.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O5/c1-3-30-17-7-5-4-6-16(17)24-22(29)21-14(2)27(26-25-21)13-20(28)23-15-8-9-18-19(12-15)32-11-10-31-18/h4-9,12H,3,10-11,13H2,1-2H3,(H,23,28)(H,24,29)InChIKey
KKMGTOQDVKAOCT-UHFFFAOYSA-NSynonyms
1(2(23dihydro14benzodioxin6ylamino)2oxoethyl)N(2ethoxyphenyl)5methyl1H123triazole4carboxamide
1(2(23dihydro14benzodioxin6ylamino)2oxoethyl)N(2ethoxyphenyl)5methyltriazole4carboxamide
CCOC1=CC=CC=C1NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC4=C(C=C3)OCCO4)C
InChI=1SC22H23N5O5c133017754616(17)2422(29)2114(2)27(262521)1320(28)2315891819(1215)3211103118h4912H3101113H212H3(H2328)(H2429)
MFCD20747505
ZINC000067322525
ZINC67322525
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