Vitas-M small molecule compound

methyl {5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetate

Catalog ID
STK770878
SMILES COC(=O)Cn1ncnc1Sc1nc2c(n1C)c(=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 C13H15N7O4S MW 365.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N7O4S/c1-17-8-9(18(2)13(23)19(3)10(8)22)16-12(17)25-11-14-6-15-20(11)5-7(21)24-4/h6H,5H2,1-4H3
InChIKey
XZFCGLZEYSZYKB-UHFFFAOYSA-N
Synonyms
672893-10-6
672893106
CN1C2=C(N=C1SC3=NC=NN3CC(=O)OC)N(C(=O)N(C2=O)C)C
InChI=1SC13H15N7O4Sc11789(18(2)13(23)19(3)10(8)22)1612(17)25111461520(11)57(21)244h6H5H214H3
methyl(5((137trimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)1H124triazol1yl)acetate
methyl2(5((137trimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)1H124triazol1yl)acetate
METHYL2(5(137TRIMETHYL26DIOXOPURIN8YL)SULFANYL124TRIAZOL1YL)ACETATE
MFCD03663152
ZINC000001073540
ZINC01073540
ZINC1073540

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Available files

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