Vitas-M small molecule compound
pentyl {[7-(3-bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Catalog ID
STK527946
SMILES CCCCCOC(=O)CSc1nc2c(n1Cc1cccc(c1)Br)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 C20H23BrN4O4S MW 495.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23BrN4O4S/c1-3-4-5-9-29-15(26)12-30-20-22-17-16(18(27)23-19(28)24(17)2)25(20)11-13-7-6-8-14(21)10-13/h6-8,10H,3-5,9,11-12H2,1-2H3,(H,23,27,28)InChIKey
DWYVDUVWVRBXBW-UHFFFAOYSA-NSynonyms
331725-95-2331725952
CCCCCOC(=O)CSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C
CCCCCOC(=O)CSc1nc2c(n1Cc1cccc(c1)Br)c(=O)(nH)c(=O)n2C
InChI=1SC20H23BrN4O4Sc134592915(26)123020221716(18(27)2319(28)24(17)2)25(20)111376814(21)1013h6810H3591112H212H3(H232728)
MFCD01079258
pentyl((7(3bromobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
pentyl2((7(3bromobenzyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
PENTYL2(7((3BROMOPHENYL)METHYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETATE
ZINC000013231938
ZINC13231938
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