Vitas-M small molecule compound
ethyl {[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Catalog ID
STK838641
SMILES C=CCn1c(SCC(=O)OCC)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 C14H18N4O4S MW 338.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N4O4S/c1-5-7-18-10-11(16(3)14(21)17(4)12(10)20)15-13(18)23-8-9(19)22-6-2/h5H,1,6-8H2,2-4H3InChIKey
SLKJJCCGSAJKJH-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C
ethyl((13dimethyl26dioxo7(prop2en1yl)2367tetrahydro1Hpurin8yl)sulfanyl)acetate
ethyl2((7allyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
ETHYL2(13DIMETHYL26DIOXO7PROP2ENYL137TRIHYDROPURIN8YLTHIO)ACETATE
ETHYL2(13DIMETHYL26DIOXO7PROP2ENYLPURIN8YL)SULFANYLACETATE
InChI=1SC14H18N4O4Sc157181011(16(3)14(21)17(4)12(10)20)1513(18)2389(19)2262h5H168H224H3
MFCD02227445
ZINC000000287492
ZINC00287492
ZINC287492
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