Vitas-M small molecule compound

8-benzyl-1,3-dimethyl-7-(4-nitrophenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione

Catalog ID
STL055870
SMILES [O-][N+](=O)c1ccc(cc1)c1cn2c(n1Cc1ccccc1)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 C22H18N6O4 MW 430.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6O4/c1-24-19-18(20(29)25(2)22(24)30)27-13-17(15-8-10-16(11-9-15)28(31)32)26(21(27)23-19)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKey
LPXHFVOWWOFTNI-UHFFFAOYSA-N
Synonyms
714925-89-0
(O)(N+)(=O)c1ccc(cc1)c1cn2c(n1Cc1ccccc1)nc1c2c(=O)n(C)c(=O)n1C
6BENZYL24DIMETHYL7(4NITROPHENYL)PURINO(78A)IMIDAZOLE13DIONE
714925890
8benzyl13dimethyl7(4nitrophenyl)1Himidazo(21f)purine24(3H8H)dione
CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC22H18N6O4c1241918(20(29)25(2)22(24)30)271317(1581016(11915)28(31)32)26(21(27)2319)12146435714h31113H12H212H3
MFCD04157749
ZINC000009192439
ZINC09192439
ZINC9192439

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Available files

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