Vitas-M small molecule compound
ethyl 4-({[5-(2-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetyl}amino)benzoate
Catalog ID
STL176566
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccccc1OC
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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 C22H21N5O6 MW 451.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O6/c1-3-33-22(31)13-8-10-14(11-9-13)23-17(28)12-26-19-18(24-25-26)20(29)27(21(19)30)15-6-4-5-7-16(15)32-2/h4-11,18-19H,3,12H2,1-2H3,(H,23,28)InChIKey
NSNBELDHQXAFNB-UHFFFAOYSA-NSynonyms
1024232-51-61024232516
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC=CC=C4OC)N=N2
ethyl4(((5(2methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetyl)amino)benzoate
ETHYL4((2(5(2METHOXYPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)TRIAZOL3YL)ACETYL)AMINO)BENZOATE
InChI=1SC22H21N5O6c133322(31)1381014(11913)2317(28)12261918(242526)20(29)27(21(19)30)15645716(15)322h4111819H312H212H3(H2328)
MFCD04049544
ZINC000002783542
ZINC000102442302
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