Vitas-M small molecule compound
ethyl 2-{[3-methyl-2,6-dioxo-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoate
Catalog ID
STK064259
SMILES CCOC(=O)C(Sc1nc2c(n1C(C)C)c(=O)[nH]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 C14H20N4O4S MW 340.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N4O4S/c1-6-22-12(20)8(4)23-14-15-10-9(18(14)7(2)3)11(19)16-13(21)17(10)5/h7-8H,6H2,1-5H3,(H,16,19,21)InChIKey
JCZYCSSJVFFPDK-UHFFFAOYSA-NSynonyms
327170-92-3327170923
CCOC(=O)C(C)SC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C
CCOC(=O)C(Sc1nc2c(n1C(C)C)c(=O)(nH)c(=O)n2C)C
ethyl2((3methyl26dioxo7(propan2yl)2367tetrahydro1Hpurin8yl)sulfanyl)propanoate
ETHYL2((6HYDROXY3METHYL2OXO7(PROPAN2YL)37DIHYDRO2HPURIN8YL)SULFANYL)PROPANOATE
ethyl2((7isopropyl3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoate
ETHYL2(3METHYL26DIOXO7PROPAN2YLPURIN8YL)SULFANYLPROPANOATE
InChI=1SC14H20N4O4Sc162212(20)8(4)231415109(18(14)7(2)3)11(19)1613(21)17(10)5h78H6H215H3(H161921)
MFCD01032107
STK064259
ZINC000000310630
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