Vitas-M small molecule compound
ethyl 4-({[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetyl}amino)benzoate
Catalog ID
STL081331
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)OC
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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 C22H20ClN5O6 MW 485.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O6/c1-3-34-22(32)12-4-6-13(7-5-12)24-17(29)11-27-19-18(25-26-27)20(30)28(21(19)31)14-8-9-16(33-2)15(23)10-14/h4-10,18-19H,3,11H2,1-2H3,(H,24,29)InChIKey
WXYIJBXWQUYFPM-UHFFFAOYSA-NSynonyms
1052606-91-31052606913
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)OC)Cl)N=N2
ethyl4(((5(3chloro4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetyl)amino)benzoate
ethyl4((2(5(3chloro4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetyl)amino)benzoate
InChI=1SC22H20ClN5O6c133422(32)124613(7512)2417(29)11271918(252627)20(30)28(21(19)31)148916(332)15(23)1014h4101819H311H212H3(H2429)
MFCD07655892
ZINC000009675083
ZINC000101168955
Check stock
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