Vitas-M small molecule compound
ethyl 2-[(7-benzyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate
Catalog ID
STK632039
SMILES CCOC(=O)C(Sc1nc2c(n1Cc1ccccc1)c(O)nc(=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 C18H20N4O4S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O4S/c1-4-26-16(24)11(2)27-18-19-14-13(15(23)20-17(25)21(14)3)22(18)10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,20,23,25)InChIKey
IPAXPHCOOXDRLP-UHFFFAOYSA-NSynonyms
370076-25-8370076258
CCOC(=O)C(C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C
ETHYL2((7BENZYL6HYDROXY3METHYL2OXO37DIHYDRO2HPURIN8YL)SULFANYL)PROPANOATE
ETHYL2(7BENZYL3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOATE
InChI=1SC18H20N4O4Sc142616(24)11(2)2718191413(15(23)2017(25)21(14)3)22(18)10128657912h5911H410H213H3(H202325)
MFCD18159649
ZINC000013739305
ZINC000013739306
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