Vitas-M small molecule compound
ethyl 4-({[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetyl}amino)benzoate
Catalog ID
STL176563
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(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 C22H21N5O5 MW 435.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O5/c1-3-32-22(31)14-6-8-15(9-7-14)23-17(28)12-26-19-18(24-25-26)20(29)27(21(19)30)16-10-4-13(2)5-11-16/h4-11,18-19H,3,12H2,1-2H3,(H,23,28)InChIKey
QALZFLJOSNPDHL-UHFFFAOYSA-NSynonyms
1024310-85-71024310857
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C)N=N2
ethyl4(((5(4methylphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetyl)amino)benzoate
ETHYL4((2(5(4METHYLPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)TRIAZOL3YL)ACETYL)AMINO)BENZOATE
InChI=1SC22H21N5O5c133222(31)146815(9714)2317(28)12261918(242526)20(29)27(21(19)30)1610413(2)51116h4111819H312H212H3(H2328)
MFCD04049541
ZINC000002783694
ZINC000101167449
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