Vitas-M small molecule compound
3-[4-(acetyloxy)butyl]-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL441155
SMILES CC(=O)OCCCC[n+]1nn(c(c1C(=O)Nc1ccc(cc1)C)[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 C23H26N4O4 MW 422.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O4/c1-16-6-10-19(11-7-16)24-22(29)21-23(30)27(20-12-8-17(2)9-13-20)25-26(21)14-4-5-15-31-18(3)28/h6-13H,4-5,14-15H2,1-3H3,(H-,24,25,29,30)InChIKey
VRDBDIXHKCDHHN-UHFFFAOYSA-NSynonyms
1(4(ACETYLOXY)BUTYL)3(4METHYLPHENYL)5(4TOLUIDINOCARBONYL)3H123TRIAZOL1IUM4OLATE
1(4ACETYLOXYBUTYL)3(4METHYLPHENYL)5((4METHYLPHENYL)CARBAMOYL)TRIAZOL1IUM4OLATE
3(4(acetyloxy)butyl)1(4methylphenyl)4((4methylphenyl)carbamoyl)1H123triazol3ium5olate
CC(=O)OCCCC(n+)1nn(c(c1C(=O)Nc1ccc(cc1)C)(O))c1ccc(cc1)C
CC1=CC=C(C=C1)NC(=O)C2=C(N(N=(N+)2CCCCOC(=O)C)C3=CC=C(C=C3)C)(O)
InChI=1SC23H26N4O4c11661019(11716)2422(29)2123(30)27(2012817(2)91320)2526(21)1445153118(3)28h613H451415H213H3(H24252930)
MFCD07773665
ZINC000003765426
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