Vitas-M small molecule compound
N-(5-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STL081408
SMILES COc1cc(ccc1OC)N1C(=O)C2C(C1=O)N=NN2CC(=O)Nc1cc(Cl)ccc1C
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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/c1-11-4-5-12(22)8-14(11)23-17(28)10-26-19-18(24-25-26)20(29)27(21(19)30)13-6-7-15(31-2)16(9-13)32-3/h4-9,18-19H,10H2,1-3H3,(H,23,28)InChIKey
AIEVSUWFRIXRAC-UHFFFAOYSA-NSynonyms
1052612-02-81052612028
CC1=C(C=C(C=C1)Cl)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)OC)OC)N=N2
InChI=1SC21H20ClN5O5c1114512(22)814(11)2317(28)10261918(242526)20(29)27(21(19)30)136715(312)16(913)323h491819H10H213H3(H2328)
MFCD07656068
N(5chloro2methylphenyl)2(5(34dimethoxyphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(5chloro2methylphenyl)2(5(34dimethoxyphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000009675675
ZINC000101169916
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