Vitas-M small molecule compound
1-{[(E)-(4-methoxyphenyl)methylidene]amino}-4-(methylcarbamoyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL439638
SMILES CNC(=O)c1[n+](nn(c1[O-])/N=C/c1ccc(cc1)OC)CC(=O)c1ccc(cc1)C
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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 C21H21N5O4 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4/c1-14-4-8-16(9-5-14)18(27)13-25-19(20(28)22-2)21(29)26(24-25)23-12-15-6-10-17(30-3)11-7-15/h4-12H,13H2,1-3H3,(H-,22,24,28,29)/b23-12+InChIKey
LOFLPSYHBOVAEO-FSJBWODESA-NSynonyms
1(((E)(4methoxyphenyl)methylidene)amino)4(methylcarbamoyl)3(2(4methylphenyl)2oxoethyl)1H123triazol3ium5olate
3((E)(4methoxyphenyl)methylideneamino)5(methylcarbamoyl)1(2(4methylphenyl)2oxoethyl)triazol1ium4olate
CC1=CC=C(C=C1)C(=O)C(N+)2=NN(C(=C2C(=O)NC)(O))N=CC3=CC=C(C=C3)OC
CNC(=O)c1(n+)(nn(c1(O))N=Cc1ccc(cc1)OC)CC(=O)c1ccc(cc1)C
InChI=1SC21H21N5O4c1144816(9514)18(27)132519(20(28)222)21(29)26(2425)23121561017(303)11715h412H13H213H3(H22242829)b2312+
MFCD09992403
ZINC000033431739
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