Vitas-M small molecule compound
3-{[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoic acid
Catalog ID
STL325473
SMILES COCCn1c(SCCC(=O)O)nc2c1c(=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 C12H16N4O5S MW 328.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O5S/c1-15-9-8(10(19)14-11(15)20)16(4-5-21-2)12(13-9)22-6-3-7(17)18/h3-6H2,1-2H3,(H,17,18)(H,14,19,20)InChIKey
QCFUADCVGKDYRE-UHFFFAOYSA-NSynonyms
330202-49-83((7(2methoxyethyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3((7(2methoxyethyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoicacid
3(7(2METHOXYETHYL)3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOICACID
330202498
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC(=O)O)CCOC
COCCn1c(SCCC(=O)O)nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC12H16N4O5Sc11598(10(19)1411(15)20)16(45212)12(139)22637(17)18h36H212H3(H1718)(H141920)
MFCD01815909
ZINC000013763427
ZINC13763427
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