Vitas-M small molecule compound

8-(1,3-benzodioxol-5-yl)-7-(4-bromophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione

Catalog ID
STL024970
SMILES Brc1ccc(cc1)c1cn2c(n1c1ccc3c(c1)OCO3)nc1c2c(=O)n(C)c(=O)n1C

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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 C22H16BrN5O4 MW 494.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN5O4/c1-25-19-18(20(29)26(2)22(25)30)27-10-15(12-3-5-13(23)6-4-12)28(21(27)24-19)14-7-8-16-17(9-14)32-11-31-16/h3-10H,11H2,1-2H3
InChIKey
PVUJYCBWUKQORU-UHFFFAOYSA-N
Synonyms
848739-50-4
6(13BENZODIOXOL5YL)7(4BROMOPHENYL)24DIMETHYLPURINO(78A)IMIDAZOLE13DIONE
8(13benzodioxol5yl)7(4bromophenyl)13dimethyl1Himidazo(21f)purine24(3H8H)dione
8(benzo(d)(13)dioxol5yl)7(4bromophenyl)13dimethyl1Himidazo(21f)purine24(3H8H)dione
848739504
CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)Br
InChI=1SC22H16BrN5O4c1251918(20(29)26(2)22(25)30)271015(123513(23)6412)28(21(27)2419)14781617(914)32113116h310H11H212H3
MFCD04194833
ZINC000009088791
ZINC09088791
ZINC9088791

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Available files

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