Vitas-M small molecule compound
(5Z)-1-butyl-4,6-dioxo-5-{[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)hydrazinyl]methylidene}-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STK569016
SMILES CCCCN1C(=NC(=O)/C(=C/NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)[S-]
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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 C17H22N8O4S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N8O4S/c1-5-6-7-25-13(27)9(12(26)20-16(25)30)8-18-21-15-19-11-10(22(15)2)14(28)24(4)17(29)23(11)3/h8,18H,5-7H2,1-4H3,(H,19,21)(H,20,26,30)/b9-8-InChIKey
ZHASRXLMPUWHLW-HJWRWDBZSA-NSynonyms
(5Z)1butyl46dioxo5((2(137trimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinyl)methylidene)1456tetrahydropyrimidine2thiolate
8(2((Z)(1BUTYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)HYDRAZINYL)137TRIMETHYLPURINE26DIONE
CCCCN1C(=NC(=O)C(=CNNc2(nH+)c3c(n2C)c(=O)n(c(=O)n3C)C)C1=O)(S)
CCCCN1C(=O)C(=CNNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C(=O)NC1=S
InChI=1SC17H22N8O4Sc15672513(27)9(12(26)2016(25)30)8182115191110(22(15)2)14(28)24(4)17(29)23(11)3h818H57H214H3(H1921)(H202630)b98
MFCD18245266
ZINC000013282733
ZINC09292599
ZINC13282733
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