Vitas-M small molecule compound
2-[5-(4-bromo-2-ethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide
Catalog ID
STL168549
SMILES CCc1cc(Br)ccc1N1C(=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 C20H18BrN5O3 MW 456.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN5O3/c1-2-12-10-13(21)8-9-15(12)26-19(28)17-18(20(26)29)25(24-23-17)11-16(27)22-14-6-4-3-5-7-14/h3-10,17-18H,2,11H2,1H3,(H,22,27)InChIKey
CJRKLBPYPUTTDF-UHFFFAOYSA-NSynonyms
1024285-09-31024285093
2(5(4BROMO2ETHYLPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)TRIAZOL3YL)NPHENYLACETAMIDE
2(5(4bromo2ethylphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)Nphenylacetamide
CCC1=C(C=CC(=C1)Br)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC=CC=C4
InChI=1SC20H18BrN5O3c12121013(21)8915(12)2619(28)1718(20(26)29)25(242317)1116(27)22146435714h3101718H211H21H3(H2227)
MFCD04049982
ZINC000002785980
ZINC000102926415
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