Vitas-M small molecule compound

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

Catalog ID
STL081372
SMILES O=C(Nc1ccc(cc1C)C)CN1N=NC2C1C(=O)N(C2=O)c1ccc(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/c1-12-5-8-17(15(4)9-12)23-18(28)11-26-20-19(24-25-26)21(29)27(22(20)30)16-7-6-13(2)14(3)10-16/h5-10,19-20H,11H2,1-4H3,(H,23,28)
InChIKey
ZZEUCFPIZWWQHY-UHFFFAOYSA-N
Synonyms
1052548-98-7
1052548987
CC1=CC(=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)C)C)N=N2)C
InChI=1SC22H23N5O3c1125817(15(4)912)2318(28)11262019(242526)21(29)27(22(20)30)167613(2)14(3)1016h5101920H11H214H3(H2328)
MFCD08140505
N(24dimethylphenyl)2(5(34dimethylphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(24dimethylphenyl)2(5(34dimethylphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000006729416
ZINC000101170645

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Available files

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