Vitas-M small molecule compound

2-[5-(3-chloro-4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,5-dimethylphenyl)acetamide

Catalog ID
STL193023
SMILES O=C(Nc1cc(C)ccc1C)CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)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 C21H20ClN5O3 MW 425.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O3/c1-11-4-5-13(3)16(8-11)23-17(28)10-26-19-18(24-25-26)20(29)27(21(19)30)14-7-6-12(2)15(22)9-14/h4-9,18-19H,10H2,1-3H3,(H,23,28)
InChIKey
VQXYRBRLTCWUPU-UHFFFAOYSA-N
Synonyms
1052560-27-6
1052560276
2(5(3chloro4methylphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(25dimethylphenyl)acetamide
2(5(3chloro4methylphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(25dimethylphenyl)acetamide
CC1=CC(=C(C=C1)C)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)C)Cl)N=N2
InChI=1SC21H20ClN5O3c1114513(3)16(811)2317(28)10261918(242526)20(29)27(21(19)30)147612(2)15(22)914h491819H10H213H3(H2328)
MFCD07650258
ZINC000009748429
ZINC000101083660

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Available files

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