Vitas-M small molecule compound
methyl ({7-[(2E)-but-2-en-1-yl]-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl}sulfanyl)acetate
Catalog ID
STK645590
SMILES C/C=C/Cn1c(SCC(=O)OC)nc2c1c(O)nc(=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 C13H16N4O4S MW 324.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O4S/c1-4-5-6-17-9-10(16(2)12(20)15-11(9)19)14-13(17)22-7-8(18)21-3/h4-5H,6-7H2,1-3H3,(H,15,19,20)/b5-4+InChIKey
FGXXEVONVAGPAZ-SNAWJCMRSA-NSynonyms
332897-54-8332897548
CC=CCn1c(SCC(=O)OC)nc2c1c(O)nc(=O)n2C
CC=CCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C
InChI=1SC13H16N4O4Sc145617910(16(2)12(20)1511(9)19)1413(17)2278(18)213h45H67H213H3(H151920)b54+
methyl((7((2E)but2en1yl)6hydroxy3methyl2oxo37dihydro2Hpurin8yl)sulfanyl)acetate
METHYL2(7((E)BUT2ENYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETATE
MFCD18163967
ZINC000013756547
ZINC13756547
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