Vitas-M small molecule compound
3-[8-(hexylamino)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanenitrile
Catalog ID
STK527008
SMILES CCCCCCNc1nc2c(n1CCC#N)c(=O)[nH]c(=O)n2C
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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 C15H22N6O2 MW 318.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H22N6O2/c1-3-4-5-6-9-17-14-18-12-11(21(14)10-7-8-16)13(22)19-15(23)20(12)2/h3-7,9-10H2,1-2H3,(H,17,18)(H,19,22,23)InChIKey
CACKGGZWBHLNKF-UHFFFAOYSA-NSynonyms
121511-62-4121511624
3(8(hexylamino)3methyl26dioxo1236tetrahydro7Hpurin7yl)propanenitrile
3(8(hexylamino)3methyl26dioxo23dihydro1Hpurin7(6H)yl)propanenitrile
3(8(HEXYLAMINO)3METHYL26DIOXOPURIN7YL)PROPANENITRILE
CCCCCCNC1=NC2=C(N1CCC#N)C(=O)NC(=O)N2C
CCCCCCNc1nc2c(n1CCC#N)c(=O)(nH)c(=O)n2C
InChI=1SC15H22N6O2c1345691714181211(21(14)107816)13(22)1915(23)20(12)2h37910H212H3(H1718)(H192223)
MFCD00540540
ZINC000013510699
ZINC13510699
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