Vitas-M small molecule compound
8-{(2E)-2-[cyano(propanoyloxy)methylidene]hydrazinyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine
Catalog ID
STK806416
SMILES N#C/C(=N\Nc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C)/OC(=O)CC
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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 C12H13N7O4 MW 319.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N7O4/c1-4-7(20)23-6(5-13)16-17-11-14-8-9(15-11)18(2)12(22)19(3)10(8)21/h4H2,1-3H3,(H2,14,15,17)/b16-6+InChIKey
LBURMEJPVLHEHP-OMCISZLKSA-NSynonyms
((E)CCYANON((13DIMETHYL26DIOXO7HPURIN8YL)AMINO)CARBONIMIDOYL)PROPANOATE
(Z)(13dimethyl26dioxo2367tetrahydro1Hpurin8yl)carbonocyanidohydrazonicpropionicanhydride
8((2E)2(cyano(propanoyloxy)methylidene)hydrazinyl)13dimethyl26dioxo2367tetrahydro1Hpurine
CCC(=O)OC(=NNC1=NC2=C(N1)C(=O)N(C(=O)N2C)C)C#N
InChI=1SC12H13N7O4c147(20)236(513)1617111489(1511)18(2)12(22)19(3)10(8)21h4H213H3(H2141517)b166+
MFCD18169561
N#CC(=NNc1(nH)c2c(n1)n(C)c(=O)n(c2=O)C)OC(=O)CC
ZINC000000447665
ZINC09310193
ZINC9310193
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