Vitas-M small molecule compound

1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK686513
SMILES CN1CCN(CC1)c1nc2c(n1CC(=O)c1cccc(c1)[N+](=O)[O-])c(=O)n(c(=O)n2C)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 C20H23N7O5 MW 441.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N7O5/c1-22-7-9-25(10-8-22)19-21-17-16(18(29)24(3)20(30)23(17)2)26(19)12-15(28)13-5-4-6-14(11-13)27(31)32/h4-6,11H,7-10,12H2,1-3H3
InChIKey
XFDGMNOQLVFOFP-UHFFFAOYSA-N
Synonyms
13dimethyl8(4methylpiperazin1yl)7(2(3nitrophenyl)2oxoethyl)37dihydro1Hpurine26dione
13DIMETHYL8(4METHYLPIPERAZIN1YL)7(2(3NITROPHENYL)2OXOETHYL)PURINE26DIONE
CN1CCN(CC1)c1nc2c(n1CC(=O)c1cccc(c1)(N+)(=O)(O))c(=O)n(c(=O)n2C)C
CN1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)N(C(=O)N3C)C
Registry IDs
MFCD06016061
ZINC000012427885
ZINC12427885

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Available files

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