Vitas-M small molecule compound
{[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
Catalog ID
STK002905
SMILES OC(=O)CSc1nc2c(n1CCc1ccccc1)c(=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 C16H16N4O4S MW 360.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O4S/c1-19-13-12(14(23)18-15(19)24)20(16(17-13)25-9-11(21)22)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,21,22)(H,18,23,24)InChIKey
CBEAHRIXZQTTPK-UHFFFAOYSA-NSynonyms
107608-57-1((3methyl26dioxo7(2phenylethyl)2367tetrahydro1Hpurin8yl)sulfanyl)aceticacid
2((3methyl26dioxo7phenethyl2367tetrahydro1Hpurin8yl)thio)aceticacid
2(3methyl26dioxo7(2phenylethyl)purin8yl)sulfanylaceticacid
2(3METHYL26DIOXO7PHENETHYLPURIN8YL)SULFANYLACETICACID
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CCC3=CC=CC=C3
InChI=1SC16H16N4O4Sc1191312(14(23)1815(19)24)20(16(1713)25911(21)22)87105324610h26H79H21H3(H2122)(H182324)
MFCD00612248
OC(=O)CSc1nc2c(n1CCc1ccccc1)c(=O)(nH)c(=O)n2C
STK002905
ZINC820823
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