Vitas-M small molecule compound
8-({2-[5-(4-chlorophenyl)-2H-tetrazol-2-yl]ethyl}sulfanyl)-7-(2-ethylhexyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK691916
SMILES CCCCC(Cn1c(SCCn2nnc(n2)c2ccc(cc2)Cl)nc2c1c(=O)n(c(=O)n2C)C)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 C24H31ClN8O2S MW 531.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31ClN8O2S/c1-5-7-8-16(6-2)15-32-19-21(30(3)24(35)31(4)22(19)34)26-23(32)36-14-13-33-28-20(27-29-33)17-9-11-18(25)12-10-17/h9-12,16H,5-8,13-15H2,1-4H3InChIKey
NGSUPMAKHMBBMQ-UHFFFAOYSA-NSynonyms
8((2(5(4chlorophenyl)2Htetrazol2yl)ethyl)sulfanyl)7(2ethylhexyl)13dimethyl37dihydro1Hpurine26dione
8(2(5(4chlorophenyl)tetrazol2yl)ethylsulfanyl)7(2ethylhexyl)13dimethylpurine26dione
CCCCC(CC)CN1C2=C(N=C1SCCN3N=C(N=N3)C4=CC=C(C=C4)Cl)N(C(=O)N(C2=O)C)C
InChI=1SC24H31ClN8O2Sc157816(62)15321921(30(3)24(35)31(4)22(19)34)2623(32)361413332820(272933)1791118(25)121017h91216H581315H214H3
MFCD10037901
ZINC000015081705
ZINC000015081707
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