Vitas-M small molecule compound
2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide
Catalog ID
STL081395
SMILES COc1cc(ccc1OC)N1C(=O)C2C(C1=O)N=NN2CC(=O)Nc1ccccc1
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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 C20H19N5O5 MW 409.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O5/c1-29-14-9-8-13(10-15(14)30-2)25-19(27)17-18(20(25)28)24(23-22-17)11-16(26)21-12-6-4-3-5-7-12/h3-10,17-18H,11H2,1-2H3,(H,21,26)InChIKey
ROELBKAAFDERPD-UHFFFAOYSA-NSynonyms
2(5(34dimethoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)Nphenylacetamide
2(5(34dimethoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)Nphenylacetamide
COC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC=CC=C4)OC
InChI=1SC20H19N5O5c129149813(1015(14)302)2519(27)1718(20(25)28)24(232217)1116(26)21126435712h3101718H11H212H3(H2126)
MFCD07656048
ZINC000004484131
ZINC000101389962
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