Vitas-M small molecule compound
1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]-3-[2-(piperidin-1-yl)ethyl]-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL448368
SMILES Cc1ccc(cc1)NC(=O)c1[n+](CCN2CCCCC2)nn(c1[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 C24H29N5O2 MW 419.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O2/c1-18-6-10-20(11-7-18)25-23(30)22-24(31)29(21-12-8-19(2)9-13-21)26-28(22)17-16-27-14-4-3-5-15-27/h6-13H,3-5,14-17H2,1-2H3,(H-,25,26,30,31)InChIKey
JZRRYWXPIHTOBK-UHFFFAOYSA-NSynonyms
1(4methylphenyl)4((4methylphenyl)carbamoyl)3(2(piperidin1yl)ethyl)1H123triazol3ium5olate
3(4METHYLPHENYL)1(2(1PIPERIDINYL)ETHYL)5(4TOLUIDINOCARBONYL)3H123TRIAZOL1IUM4OLATE
3(4METHYLPHENYL)5((4METHYLPHENYL)CARBAMOYL)1(2PIPERIDIN1YLETHYL)TRIAZOL1IUM4OLATE
CC1=CC=C(C=C1)NC(=O)C2=C(N(N=(N+)2CCN3CCCCC3)C4=CC=C(C=C4)C)(O)
Cc1ccc(cc1)NC(=O)c1(n+)(CCN2CCCCC2)nn(c1(O))c1ccc(cc1)C
InChI=1SC24H29N5O2c11861020(11718)2523(30)2224(31)29(2112819(2)91321)2628(22)171627144351527h613H351417H212H3(H25263031)
MFCD07773821
ZINC000025182929
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