Vitas-M small molecule compound

benzyl [(7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate

Catalog ID
STK839851
SMILES O=C(CSc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C)OCc1ccccc1

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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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c1-25-19-18(20(28)24-21(25)29)26(12-15-8-4-2-5-9-15)22(23-19)31-14-17(27)30-13-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,24,28,29)
InChIKey
UCBYDLSOQQBQBX-UHFFFAOYSA-N
Synonyms
377056-99-0
377056990
benzyl((7benzyl3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
benzyl2((7benzyl3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
BENZYL2(7BENZYL3METHYL26DIOXOPURIN8YL)SULFANYLACETATE
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4
InChI=1SC22H20N4O4Sc1251918(20(28)2421(25)29)26(12158425915)22(2319)311417(27)301316106371116h211H1214H21H3(H242829)
MFCD02983657
O=C(CSc1nc2c(n1Cc1ccccc1)c(=O)(nH)c(=O)n2C)OCc1ccccc1
PHENYLMETHYL2(3METHYL26DIOXO7BENZYL137TRIHYDROPURIN8YLTHIO)ACETATE
ZINC000000637108
ZINC00637108
ZINC637108

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Available files

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