Vitas-M small molecule compound

3-butyl-1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)carbamoyl]-1H-1,2,3-triazol-3-ium-5-olate

Catalog ID
STL448387
SMILES CCCC[n+]1nn(c(c1C(=O)Nc1cccc(c1)OC)[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 C21H24N4O4 MW 396.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O4/c1-4-5-12-24-19(20(26)22-15-8-6-10-17(13-15)28-2)21(27)25(23-24)16-9-7-11-18(14-16)29-3/h6-11,13-14H,4-5,12H2,1-3H3,(H-,22,23,26,27)
InChIKey
WKPKFALKCHPDQN-UHFFFAOYSA-N
Synonyms

1BUTYL3(3METHOXYPHENYL)5((3METHOXYPHENYL)CARBAMOYL)TRIAZOL1IUM4OLATE
1BUTYL5((3METHOXYANILINO)CARBONYL)3(3METHOXYPHENYL)3H123TRIAZOL1IUM4OLATE
3butyl1(3methoxyphenyl)4((3methoxyphenyl)carbamoyl)1H123triazol3ium5olate
CCCC(N+)1=NN(C(=C1C(=O)NC2=CC(=CC=C2)OC)(O))C3=CC(=CC=C3)OC
CCCC(n+)1nn(c(c1C(=O)Nc1cccc(c1)OC)(O))c1cccc(c1)OC
InChI=1SC21H24N4O4c145122419(20(26)2215861017(1315)282)21(27)25(2324)16971118(1416)293h6111314H4512H213H3(H22232627)
MFCD07773840
ZINC000005274777

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Available files

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