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-(4-methylphenyl)acetamide
Catalog ID
STL081381
SMILES O=C(CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)F)Nc1ccc(cc1)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 C19H15ClFN5O3 MW 415.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClFN5O3/c1-10-2-4-11(5-3-10)22-15(27)9-25-17-16(23-24-25)18(28)26(19(17)29)12-6-7-14(21)13(20)8-12/h2-8,16-17H,9H2,1H3,(H,22,27)InChIKey
CNSVALQOZZCNAR-UHFFFAOYSA-NSynonyms
2(5(3chloro4fluorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(4methylphenyl)acetamide
2(5(3chloro4fluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(4methylphenyl)acetamide
CC1=CC=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl)N=N2
InChI=1SC19H15ClFN5O3c1102411(5310)2215(27)9251716(232425)18(28)26(19(17)29)126714(21)13(20)812h281617H9H21H3(H2227)
MFCD07656032
ZINC000009675332
ZINC000101389618
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