Vitas-M small molecule compound
N-(2-chloro-4-methylphenyl)-2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}acetamide
Catalog ID
STL081449
SMILES O=C(Nc1ccc(cc1Cl)C)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)C(C)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 C22H22ClN5O3 MW 439.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O3/c1-12(2)14-5-7-15(8-6-14)28-21(30)19-20(22(28)31)27(26-25-19)11-18(29)24-17-9-4-13(3)10-16(17)23/h4-10,12,19-20H,11H2,1-3H3,(H,24,29)InChIKey
PEVLPDUMASZYMB-UHFFFAOYSA-NSynonyms
1052604-59-71052604597
CC1=CC(=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C(C)C)N=N2)Cl
InChI=1SC22H22ClN5O3c112(2)145715(8614)2821(30)1920(22(28)31)27(262519)1118(29)24179413(3)1016(17)23h410121920H11H213H3(H2429)
MFCD07655827
N(2chloro4methylphenyl)2(46dioxo5(4(propan2yl)phenyl)4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
N(2chloro4methylphenyl)2(46dioxo5(4propan2ylphenyl)3a6adihydropyrrolo(34d)triazol3yl)acetamide
ZINC000009837308
ZINC000100036880
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