Vitas-M small molecule compound
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129753
SMILES CCOc1ccccc1NC(=O)c1nnn(c1C)CC(=O)Nc1ccc2c(c1)OCO2
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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 C21H21N5O5 MW 423.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5/c1-3-29-16-7-5-4-6-15(16)23-21(28)20-13(2)26(25-24-20)11-19(27)22-14-8-9-17-18(10-14)31-12-30-17/h4-10H,3,11-12H2,1-2H3,(H,22,27)(H,23,28)InChIKey
BZERUDIQCZPHJZ-UHFFFAOYSA-NSynonyms
1(2(13benzodioxol5ylamino)2oxoethyl)N(2ethoxyphenyl)5methyl1H123triazole4carboxamide
1(2(13benzodioxol5ylamino)2oxoethyl)N(2ethoxyphenyl)5methyltriazole4carboxamide
CCOC1=CC=CC=C1NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC4=C(C=C3)OCO4)C
InChI=1SC21H21N5O5c132916754615(16)2321(28)2013(2)26(252420)1119(27)2214891718(1014)31123017h410H31112H212H3(H2227)(H2328)
MFCD20747828
ZINC000067322844
ZINC67322844
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