Vitas-M small molecule compound
2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-ethoxyphenyl)acetamide
Catalog ID
STL081334
SMILES CCOc1ccc(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 C21H20ClN5O5 MW 457.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O5/c1-3-32-14-7-4-12(5-8-14)23-17(28)11-26-19-18(24-25-26)20(29)27(21(19)30)13-6-9-16(31-2)15(22)10-13/h4-10,18-19H,3,11H2,1-2H3,(H,23,28)InChIKey
XPDTYQLOHWYXAC-UHFFFAOYSA-NSynonyms
1052606-82-21052606822
2(5(3chloro4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(4ethoxyphenyl)acetamide
2(5(3chloro4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(4ethoxyphenyl)acetamide
CCOC1=CC=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)OC)Cl)N=N2
InChI=1SC21H20ClN5O5c1332147412(5814)2317(28)11261918(242526)20(29)27(21(19)30)136916(312)15(22)1013h4101819H311H212H3(H2328)
MFCD07655895
ZINC000009675110
ZINC000101168974
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