Vitas-M small molecule compound
methyl 2-({[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK760734
SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2c(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 C18H19N5O5S MW 417.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O5S/c1-21-13-14(22(2)18(27)23(3)15(13)25)20-17(21)29-9-12(24)19-11-8-6-5-7-10(11)16(26)28-4/h5-8H,9H2,1-4H3,(H,19,24)InChIKey
LTNYRMYSSVGRET-UHFFFAOYSA-NSynonyms
CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC)N(C(=O)N(C2=O)C)C
InChI=1SC18H19N5O5Sc1211314(22(2)18(27)23(3)15(13)25)2017(21)29912(24)1911865710(11)16(26)284h58H9H214H3(H1924)
methyl2((((137trimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetyl)amino)benzoate
METHYL2((2(137TRIMETHYL26DIOXOPURIN8YL)SULFANYLACETYL)AMINO)BENZOATE
MFCD01603829
ZINC000000708394
ZINC00708394
ZINC708394
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