Vitas-M small molecule compound
1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK849471
SMILES Cc1nnc(s1)SCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)c1ccccc1
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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 C22H26N8O2S2 MW 498.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N8O2S2/c1-15-24-25-21(34-15)33-14-13-30-17-18(26(2)22(32)27(3)19(17)31)23-20(30)29-11-9-28(10-12-29)16-7-5-4-6-8-16/h4-8H,9-14H2,1-3H3InChIKey
QPQZXHTVYCKGSQ-UHFFFAOYSA-NSynonyms
850914-77-113dimethyl7(2((5methyl134thiadiazol2yl)sulfanyl)ethyl)8(4phenylpiperazin1yl)37dihydro1Hpurine26dione
13DIMETHYL7(2((5METHYL134THIADIAZOL2YL)SULFANYL)ETHYL)8(4PHENYLPIPERAZIN1YL)PURINE26DIONE
13DIMETHYL7(2((5METHYL134THIADIAZOL2YL)THIO)ETHYL)8(4PHENYLPIPERAZIN1YL)1HPURINE26(3H7H)DIONE
13DIMETHYL7(2(5METHYL(134THIADIAZOL2YLTHIO))ETHYL)8(4PHENYLPIPERAZINYL)137TRIHYDROPURINE26DIONE
850914771
CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)N(C3=O)C)C
InChI=1SC22H26N8O2S2c115242521(3415)331413301718(26(2)22(32)27(3)19(17)31)2320(30)2911928(101229)167546816h48H914H213H3
MFCD04456951
ZINC000006528293
ZINC06528293
ZINC6528293
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