Vitas-M small molecule compound
3-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoic acid
Catalog ID
STK536354
SMILES C=CCn1c(SCCC(=O)O)nc2c1c(=O)n(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 C13H16N4O4S MW 324.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O4S/c1-4-6-17-9-10(14-12(17)22-7-5-8(18)19)15(2)13(21)16(3)11(9)20/h4H,1,5-7H2,2-3H3,(H,18,19)InChIKey
QYEJYFSOLCLUED-UHFFFAOYSA-NSynonyms
3((13dimethyl26dioxo7(prop2en1yl)2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3((7allyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoicacid
3(13DIMETHYL26DIOXO7PROP2ENYL137TRIHYDROPURIN8YLTHIO)PROPANOICACID
3(13DIMETHYL26DIOXO7PROP2ENYLPURIN8YL)SULFANYLPROPANOICACID
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCC(=O)O)CC=C
InChI=1SC13H16N4O4Sc14617910(1412(17)22758(18)19)15(2)13(21)16(3)11(9)20h4H157H223H3(H1819)
MFCD02227444
ZINC000000287491
ZINC287491
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