Vitas-M small molecule compound
1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]-3-(2-oxo-2-phenylethyl)-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL448370
SMILES Cc1ccc(cc1)NC(=O)c1[n+](CC(=O)c2ccccc2)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 C25H22N4O3 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3/c1-17-8-12-20(13-9-17)26-24(31)23-25(32)29(21-14-10-18(2)11-15-21)27-28(23)16-22(30)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H-,26,27,31,32)InChIKey
SVTWVAJRXISCSX-UHFFFAOYSA-NSynonyms
1(2OXO2PHENYLETHYL)3PTOLYL5(PTOLYLCARBAMOYL)3H123TRIAZOL1IUM4OLATE
1(4methylphenyl)4((4methylphenyl)carbamoyl)3(2oxo2phenylethyl)1H123triazol3ium5olate
3(4METHYLPHENYL)5((4METHYLPHENYL)CARBAMOYL)1PHENACYLTRIAZOL1IUM4OLATE
CC1=CC=C(C=C1)NC(=O)C2=C(N(N=(N+)2CC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C)(O)
Cc1ccc(cc1)NC(=O)c1(n+)(CC(=O)c2ccccc2)nn(c1(O))c1ccc(cc1)C
InChI=1SC25H22N4O3c11781220(13917)2624(31)2325(32)29(21141018(2)111521)2728(23)1622(30)196435719h315H16H212H3(H26273132)
MFCD07773823
ZINC000008773549
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