Vitas-M small molecule compound
pentyl {[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Catalog ID
STK086767
SMILES CCCCCOC(=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 C21H26N4O4S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4S/c1-3-4-8-13-29-16(26)14-30-21-22-18-17(19(27)23-20(28)24(18)2)25(21)12-11-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,23,27,28)InChIKey
DTXZVZNHPCTSJR-UHFFFAOYSA-NSynonyms
313470-86-9313470869
CCCCCOC(=O)CSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C
CCCCCOC(=O)CSc1nc2c(n1CCc1ccccc1)c(=O)(nH)c(=O)n2C
InChI=1SC21H26N4O4Sc1348132916(26)143021221817(19(27)2320(28)24(18)2)25(21)12111596571015h57910H3481114H212H3(H232728)
MFCD01051207
pentyl((3methyl26dioxo7(2phenylethyl)2367tetrahydro1Hpurin8yl)sulfanyl)acetate
pentyl2((3methyl26dioxo7phenethyl2367tetrahydro1Hpurin8yl)thio)acetate
pentyl2(3methyl26dioxo7(2phenylethyl)purin8yl)sulfanylacetate
PENTYL2(3METHYL26DIOXO7PHENETHYLPURIN8YL)SULFANYLACETATE
STK086767
ZINC000002057954
ZINC02057954
ZINC2057954
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