Vitas-M small molecule compound
3-(1-methylpiperidin-4-yl)-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL448367
SMILES CN1CCC(CC1)[n+]1nn(c(c1C(=O)Nc1ccccc1)[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 C21H23N5O2 MW 377.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O2/c1-24-14-12-18(13-15-24)25-19(20(27)22-16-8-4-2-5-9-16)21(28)26(23-25)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H-,22,23,27,28)InChIKey
ZGMUFDNZLFWQRK-UHFFFAOYSA-NSynonyms
1(1METHYLPIPERIDIN4YL)3PHENYL5(PHENYLCARBAMOYL)TRIAZOL1IUM4OLATE
3(1methylpiperidin4yl)1phenyl4(phenylcarbamoyl)1H123triazol3ium5olate
5(ANILINOCARBONYL)1(1METHYL4PIPERIDINYL)3PHENYL3H123TRIAZOL1IUM4OLATE
CN1CCC(CC1)(n+)1nn(c(c1C(=O)Nc1ccccc1)(O))c1ccccc1
CN1CCC(CC1)(N+)2=NN(C(=C2C(=O)NC3=CC=CC=C3)(O))C4=CC=CC=C4
InChI=1SC21H23N5O2c124141218(131524)2519(20(27)22168425916)21(28)26(2325)17106371117h21118H1215H21H3(H22232728)
MFCD07773820
ZINC000025182918
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