Vitas-M small molecule compound
ethyl 2-{[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}butanoate
Catalog ID
STK015282
SMILES CCOC(=O)C(Sc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C)CC
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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 C20H24N4O4S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O4S/c1-4-14(18(26)28-5-2)29-20-21-16-15(17(25)22-19(27)23(16)3)24(20)12-11-13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3,(H,22,25,27)InChIKey
UCGYBQHVWRNOFG-UHFFFAOYSA-NSynonyms
331839-93-12((26DIKETO3METHYL7PHENETHYLPURIN8YL)THIO)BUTYRICACIDETHYLESTER
2((3METHYL26DIOXO7(2PHENYLETHYL)8PURINYL)THIO)BUTANOICACIDETHYLESTER
331839931
CCC(C(=O)OCC)SC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C
CCOC(=O)C(Sc1nc2c(n1CCc1ccccc1)c(=O)(nH)c(=O)n2C)CC
ethyl2((3methyl26dioxo7(2phenylethyl)2367tetrahydro1Hpurin8yl)sulfanyl)butanoate
ethyl2((3methyl26dioxo7phenethyl2367tetrahydro1Hpurin8yl)thio)butanoate
ETHYL2(3METHYL26BIS(OXIDANYLIDENE)7(2PHENYLETHYL)PURIN8YL)SULFANYLBUTANOATE
ETHYL2(3METHYL26DIOXO7(2PHENYLETHYL)PURIN8YL)SULFANYLBUTANOATE
ETHYL2(3METHYL26DIOXO7PHENETHYLPURIN8YL)SULFANYLBUTANOATE
InChI=1SC20H24N4O4Sc1414(18(26)2852)2920211615(17(25)2219(27)23(16)3)24(20)12111397681013h61014H451112H213H3(H222527)
MFCD01051206
STK015282
ZINC000000627209
ZINC000000627213
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