Vitas-M small molecule compound
3-benzyl-1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)carbamoyl]-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL448384
SMILES COc1cccc(c1)NC(=O)c1[n+](Cc2ccccc2)nn(c1[O-])c1cccc(c1)OC
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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 C24H22N4O4 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4/c1-31-20-12-6-10-18(14-20)25-23(29)22-24(30)28(19-11-7-13-21(15-19)32-2)26-27(22)16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H-,25,26,29,30)InChIKey
JMSCBEJWGCFEAM-UHFFFAOYSA-NSynonyms
1BENZYL3(3METHOXYPHENYL)5((3METHOXYPHENYL)CARBAMOYL)TRIAZOL1IUM4OLATE
1BENZYL5((3METHOXYANILINO)CARBONYL)3(3METHOXYPHENYL)3H123TRIAZOL1IUM4OLATE
3benzyl1(3methoxyphenyl)4((3methoxyphenyl)carbamoyl)1H123triazol3ium5olate
COC1=CC=CC(=C1)NC(=O)C2=C(N(N=(N+)2CC3=CC=CC=C3)C4=CC(=CC=C4)OC)(O)
COc1cccc(c1)NC(=O)c1(n+)(Cc2ccccc2)nn(c1(O))c1cccc(c1)OC
InChI=1SC24H22N4O4c131201261018(1420)2523(29)2224(30)28(191171321(1519)322)2627(22)16178435917h315H16H212H3(H25262930)
MFCD07773837
ZINC000008773567
ZINC08773567
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