Vitas-M small molecule compound
3-[2-hydroxy-3-(piperidin-1-yl)propyl]-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL447289
SMILES OC(C[n+]1nn(c(c1C(=O)Nc1ccccc1)[O-])c1ccccc1)CN1CCCCC1
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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 C23H27N5O3 MW 421.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O3/c29-20(16-26-14-8-3-9-15-26)17-27-21(22(30)24-18-10-4-1-5-11-18)23(31)28(25-27)19-12-6-2-7-13-19/h1-2,4-7,10-13,20,29H,3,8-9,14-17H2,(H-,24,25,30,31)InChIKey
LKPCGKYJHWHMHB-UHFFFAOYSA-NSynonyms
1(2hydroxy3piperidin1ylpropyl)3phenyl5(phenylcarbamoyl)triazol1ium4olate
3(2hydroxy3(piperidin1yl)propyl)1phenyl4(phenylcarbamoyl)1H123triazol3ium5olate
C1CCN(CC1)CC(C(N+)2=NN(C(=C2C(=O)NC3=CC=CC=C3)(O))C4=CC=CC=C4)O
InChI=1SC23H27N5O3c2920(1626148391526)172721(22(30)2418104151118)23(31)28(2527)19126271319h124710132029H3891417H2(H24253031)
MFCD08273165
OC(C(n+)1nn(c(c1C(=O)Nc1ccccc1)(O))c1ccccc1)CN1CCCCC1
ZINC000025182949
ZINC000025182958
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