Vitas-M small molecule compound
ethyl 4-({[5-(4-ethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetyl}amino)benzoate
Catalog ID
STL176567
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)CC
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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 C23H23N5O5 MW 449.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5/c1-3-14-5-11-17(12-6-14)28-21(30)19-20(22(28)31)27(26-25-19)13-18(29)24-16-9-7-15(8-10-16)23(32)33-4-2/h5-12,19-20H,3-4,13H2,1-2H3,(H,24,29)InChIKey
FBXISWAPYPCUEL-UHFFFAOYSA-NSynonyms
1024310-94-81024310948
CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC=C(C=C4)C(=O)OCC
ethyl4(((5(4ethylphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetyl)amino)benzoate
ETHYL4((2(5(4ETHYLPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)TRIAZOL3YL)ACETYL)AMINO)BENZOATE
InChI=1SC23H23N5O5c131451117(12614)2821(30)1920(22(28)31)27(262519)1318(29)24169715(81016)23(32)3342h5121920H3413H212H3(H2429)
MFCD04049546
ZINC000002783833
ZINC000102442370
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