Vitas-M small molecule compound
pentyl {[7-(4-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Catalog ID
STK035036
SMILES CCCCCOC(=O)CSc1nc2c(n1Cc1ccc(cc1)Cl)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 C20H23ClN4O4S MW 450.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN4O4S/c1-3-4-5-10-29-15(26)12-30-20-22-17-16(18(27)23-19(28)24(17)2)25(20)11-13-6-8-14(21)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,23,27,28)InChIKey
ORHINHMYBITJNE-UHFFFAOYSA-NSynonyms
317844-60-3317844603
CCCCCOC(=O)CSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C
CCCCCOC(=O)CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)(nH)c(=O)n2C
InChI=1SC20H23ClN4O4Sc1345102915(26)123020221716(18(27)2319(28)24(17)2)25(20)11136814(21)9713h69H351012H212H3(H232728)
MFCD01051153
pentyl((7(4chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
pentyl2((7(4chlorobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
PENTYL2(7((4CHLOROPHENYL)METHYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETATE
STK035036
ZINC000012470070
ZINC12470070
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