Vitas-M small molecule compound

4-[3-methyl-2,6-dioxo-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazin-1-ium

Catalog ID
STL321217
SMILES O=c1[nH]c(=O)n(c2c1n(C(C)C)c(n2)N1CC[NH2+]CC1)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 C13H21N6O2 MW 293.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20N6O2/c1-8(2)19-9-10(17(3)13(21)16-11(9)20)15-12(19)18-6-4-14-5-7-18/h8,14H,4-7H2,1-3H3,(H,16,20,21)/p+1
InChIKey
USHGDNVZKSOSAK-UHFFFAOYSA-O
Synonyms
3METHYL8PIPERAZIN4IUM1YL7PROPAN2YLPURINE26DIONE
4(3methyl26dioxo7(propan2yl)2367tetrahydro1Hpurin8yl)piperazin1ium
CC(C)N1C2=C(N=C1N3CC(NH2+)CC3)N(C(=O)NC2=O)C
O=c1(nH)c(=O)n(c2c1n(C(C)C)c(n2)N1CC(NH2+)CC1)C
Registry IDs
ZINC000000265496
ZINC00265496

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Available files

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