Vitas-M small molecule compound
2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3-fluoro-4-methylphenyl)acetamide
Catalog ID
STL081317
SMILES COc1ccc(cc1Cl)N1C(=O)C2C(C1=O)N=NN2CC(=O)Nc1ccc(c(c1)F)C
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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 C20H17ClFN5O4 MW 445.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClFN5O4/c1-10-3-4-11(7-14(10)22)23-16(28)9-26-18-17(24-25-26)19(29)27(20(18)30)12-5-6-15(31-2)13(21)8-12/h3-8,17-18H,9H2,1-2H3,(H,23,28)InChIKey
FUCVEDWQHNSZPN-UHFFFAOYSA-NSynonyms
1052563-06-01052563060
2(5(3chloro4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(3fluoro4methylphenyl)acetamide
2(5(3chloro4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(3fluoro4methylphenyl)acetamide
CC1=C(C=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)OC)Cl)N=N2)F
InChI=1SC20H17ClFN5O4c1103411(714(10)22)2316(28)9261817(242526)19(29)27(20(18)30)125615(312)13(21)812h381718H9H212H3(H2328)
MFCD07655880
ZINC000009674961
ZINC000101168848
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