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-(2,4-dimethoxyphenyl)acetamide
Catalog ID
STL081329
SMILES COc1ccc(c(c1)OC)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 C21H20ClN5O6 MW 473.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O6/c1-31-12-5-6-14(16(9-12)33-3)23-17(28)10-26-19-18(24-25-26)20(29)27(21(19)30)11-4-7-15(32-2)13(22)8-11/h4-9,18-19H,10H2,1-3H3,(H,23,28)InChIKey
MIPJSYUMRIUNLL-UHFFFAOYSA-NSynonyms
1052606-65-11052606651
2(5(3chloro4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(24dimethoxyphenyl)acetamide
2(5(3chloro4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(24dimethoxyphenyl)acetamide
COC1=CC(=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)OC)Cl)N=N2)OC
InChI=1SC21H20ClN5O6c131125614(16(912)333)2317(28)10261918(242526)20(29)27(21(19)30)114715(322)13(22)811h491819H10H213H3(H2328)
MFCD07655891
ZINC000009675066
ZINC000101168939
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