Vitas-M small molecule compound
methyl {[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
STK838453
SMILES C=CCn1c(SCC(=O)OC)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/c1-5-6-17-9-10(14-12(17)22-7-8(18)21-4)15(2)13(20)16(3)11(9)19/h5H,1,6-7H2,2-4H3InChIKey
RRAPYXLHDHLGJJ-UHFFFAOYSA-NSynonyms
377049-23-5377049235
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)OC)CC=C
InChI=1SC13H16N4O4Sc15617910(1412(17)2278(18)214)15(2)13(20)16(3)11(9)19h5H167H224H3
methyl((13dimethyl26dioxo7(prop2en1yl)2367tetrahydro1Hpurin8yl)sulfanyl)acetate
methyl2((7allyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
METHYL2(13DIMETHYL26DIOXO7PROP2ENYL137TRIHYDROPURIN8YLTHIO)ACETATE
METHYL2(13DIMETHYL26DIOXO7PROP2ENYLPURIN8YL)SULFANYLACETATE
MFCD02227447
ZINC000000287499
ZINC00287499
ZINC287499
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