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-dimethylphenyl)acetamide
Catalog ID
STL081319
SMILES COc1ccc(cc1Cl)N1C(=O)C2C(C1=O)N=NN2CC(=O)Nc1ccc(cc1C)C
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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 C21H20ClN5O4 MW 441.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O4/c1-11-4-6-15(12(2)8-11)23-17(28)10-26-19-18(24-25-26)20(29)27(21(19)30)13-5-7-16(31-3)14(22)9-13/h4-9,18-19H,10H2,1-3H3,(H,23,28)InChIKey
OFCXBSSECDPKIU-UHFFFAOYSA-NSynonyms
1052567-81-31052567813
2(5(3chloro4methoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(24dimethylphenyl)acetamide
2(5(3chloro4methoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(24dimethylphenyl)acetamide
CC1=CC(=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)OC)Cl)N=N2)C
InChI=1SC21H20ClN5O4c1114615(12(2)811)2317(28)10261918(242526)20(29)27(21(19)30)135716(313)14(22)913h491819H10H213H3(H2328)
MFCD08140503
ZINC000009674976
ZINC000101170629
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