Vitas-M small molecule compound
3,3'-(2-hydroxypropane-1,3-diyl)bis(4-acetyl-1-phenyl-1H-1,2,3-triazol-3-ium-5-olate)
Catalog ID
STL441168
SMILES OC(C[n+]1nn(c(c1C(=O)C)[O-])c1ccccc1)C[n+]1nn(c(c1C(=O)C)[O-])c1ccccc1
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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 C23H22N6O5 MW 462.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6O5/c1-15(30)20-22(33)28(17-9-5-3-6-10-17)24-26(20)13-19(32)14-27-21(16(2)31)23(34)29(25-27)18-11-7-4-8-12-18/h3-12,19,32H,13-14H2,1-2H3InChIKey
GXRNDTMVAAMSRH-UHFFFAOYSA-NSynonyms
(1Z)1(3(2hydroxy3((5Z)5(1oxidoethylidene)4oxo3phenyltriazol1ium1yl)propyl)5oxo1phenyltriazol3ium4ylidene)ethanolate
33(2hydroxypropane13diyl)bis(4acetyl1phenyl1H123triazol3ium5olate)
5ACETYL1(3(5ACETYL4OXIDO3PHENYL3H123TRIAZOL1IUM1YL)2HYDROXYPROPYL)3PHENYL3H123TRIAZOL1IUM4OLATE
5ACETYL1(3(5ACETYL4OXIDO3PHENYLTRIAZOL1IUM1YL)2HYDROXYPROPYL)3PHENYLTRIAZOL1IUM4OLATE
CC(=C1C(=O)N(N=(N+)1CC(C(N+)2=NN(C(=O)C2=C(C)(O))C3=CC=CC=C3)O)C4=CC=CC=C4)(O)
InChI=1SC23H22N6O5c115(30)2022(33)28(1795361017)2426(20)1319(32)142721(16(2)31)23(34)29(2527)18117481218h3121932H1314H212H3
MFCD07773673
OC(C(n+)1nn(c(c1C(=O)C)(O))c1ccccc1)C(n+)1nn(c(c1C(=O)C)(O))c1ccccc1
ZINC000003765446
Check stock
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Check stock on Vitas-MAvailable files
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