Vitas-M small molecule compound
N-(3,4-dimethylphenyl)-2-[5-(3,5-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STL085396
SMILES O=C(CN1N=NC2C1C(=O)N(C2=O)c1cc(C)cc(c1)C)Nc1ccc(c(c1)C)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 C22H23N5O3 MW 405.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O3/c1-12-7-13(2)9-17(8-12)27-21(29)19-20(22(27)30)26(25-24-19)11-18(28)23-16-6-5-14(3)15(4)10-16/h5-10,19-20H,11H2,1-4H3,(H,23,28)InChIKey
QAFWRVAAORDHAS-UHFFFAOYSA-NSynonyms
1008648-77-81008648778
CC1=C(C=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=CC(=C4)C)C)N=N2)C
InChI=1SC22H23N5O3c112713(2)917(812)2721(29)1920(22(27)30)26(252419)1118(28)23166514(3)15(4)1016h5101920H11H214H3(H2328)
MFCD07650241
N(34dimethylphenyl)2(5(35dimethylphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(34dimethylphenyl)2(5(35dimethylphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000004852067
ZINC000100036696
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