Vitas-M small molecule compound
1-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-N-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL143115
SMILES COc1ccc(cc1)NC(=O)c1nnn(c1C)CC(=O)NCc1ccc2c(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/c1-13-20(21(28)23-15-4-6-16(29-2)7-5-15)24-25-26(13)11-19(27)22-10-14-3-8-17-18(9-14)31-12-30-17/h3-9H,10-12H2,1-2H3,(H,22,27)(H,23,28)InChIKey
LUTHSMBFIADORH-UHFFFAOYSA-NSynonyms
1(2((13benzodioxol5ylmethyl)amino)2oxoethyl)N(4methoxyphenyl)5methyl1H123triazole4carboxamide
1(2(13benzodioxol5ylmethylamino)2oxoethyl)N(4methoxyphenyl)5methyltriazole4carboxamide
CC1=C(N=NN1CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)OC
InChI=1SC21H21N5O5c11320(21(28)23154616(292)7515)242526(13)1119(27)221014381718(914)31123017h39H1012H212H3(H2227)(H2328)
MFCD20748162
ZINC000071327456
ZINC71327456
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