Vitas-M small molecule compound
ethyl {[3-methyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Catalog ID
STK834023
SMILES C=CCn1c(SCC(=O)OCC)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 C13H16N4O4S MW 324.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O4S/c1-4-6-17-9-10(16(3)12(20)15-11(9)19)14-13(17)22-7-8(18)21-5-2/h4H,1,5-7H2,2-3H3,(H,15,19,20)InChIKey
CETHMFJGAJSURB-UHFFFAOYSA-NSynonyms
313552-33-9313552339
C=CCn1c(SCC(=O)OCC)nc2c1c(=O)(nH)c(=O)n2C
CCOC(=O)CSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C
ethyl((3methyl26dioxo7(prop2en1yl)2367tetrahydro1Hpurin8yl)sulfanyl)acetate
ethyl2((7allyl3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
ETHYL2(3METHYL26DIOXO7PROP2ENYLPURIN8YL)SULFANYLACETATE
InChI=1SC13H16N4O4Sc14617910(16(3)12(20)1511(9)19)1413(17)2278(18)2152h4H157H223H3(H151920)
MFCD00658398
ZINC000000340898
ZINC00340898
ZINC340898
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