Vitas-M small molecule compound
2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,3-dimethylphenyl)acetamide
Catalog ID
STL081388
SMILES O=C(Nc1cccc(c1C)C)CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)F
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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 C20H17ClFN5O3 MW 429.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClFN5O3/c1-10-4-3-5-15(11(10)2)23-16(28)9-26-18-17(24-25-26)19(29)27(20(18)30)12-6-7-14(22)13(21)8-12/h3-8,17-18H,9H2,1-2H3,(H,23,28)InChIKey
TYYGUNIFLYQHBP-UHFFFAOYSA-NSynonyms
1052566-51-41052566514
2(5(3chloro4fluorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(23dimethylphenyl)acetamide
2(5(3chloro4fluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(23dimethylphenyl)acetamide
CC1=C(C(=CC=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl)N=N2)C
InChI=1SC20H17ClFN5O3c11043515(11(10)2)2316(28)9261817(242526)19(29)27(20(18)30)126714(22)13(21)812h381718H9H212H3(H2328)
MFCD07656040
ZINC000009675421
ZINC000101169677
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