Vitas-M small molecule compound
N-(3-chlorophenyl)-2-[5-(3,5-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STL085407
SMILES O=C(CN1N=NC2C1C(=O)N(C2=O)c1cc(C)cc(c1)C)Nc1cccc(c1)Cl
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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 C20H18ClN5O3 MW 411.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O3/c1-11-6-12(2)8-15(7-11)26-19(28)17-18(20(26)29)25(24-23-17)10-16(27)22-14-5-3-4-13(21)9-14/h3-9,17-18H,10H2,1-2H3,(H,22,27)InChIKey
CXLORWIJDCCPNE-UHFFFAOYSA-NSynonyms
1052604-23-51052604235
CC1=CC(=CC(=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC(=CC=C4)Cl)C
InChI=1SC20H18ClN5O3c111612(2)815(711)2619(28)1718(20(26)29)25(242317)1016(27)221453413(21)914h391718H10H212H3(H2227)
MFCD07803979
N(3chlorophenyl)2(5(35dimethylphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(3chlorophenyl)2(5(35dimethylphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000009748147
ZINC000100036686
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