Vitas-M small molecule compound
2-[5-(3-chloro-4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-methylphenyl)acetamide
Catalog ID
STL193024
SMILES O=C(CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)C)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 C20H18ClN5O3 MW 411.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O3/c1-11-3-6-13(7-4-11)22-16(27)10-25-18-17(23-24-25)19(28)26(20(18)29)14-8-5-12(2)15(21)9-14/h3-9,17-18H,10H2,1-2H3,(H,22,27)InChIKey
YPIITMWGVWYETQ-UHFFFAOYSA-NSynonyms
2(5(3chloro4methylphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(4methylphenyl)acetamide
2(5(3chloro4methylphenyl)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)C)Cl)N=N2
InChI=1SC20H18ClN5O3c1113613(7411)2216(27)10251817(232425)19(28)26(20(18)29)148512(2)15(21)914h391718H10H212H3(H2227)
MFCD22390849
ZINC000022771409
ZINC000101352907
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