Vitas-M small molecule compound
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(2-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK588001
SMILES CC1CCCCN1c1nc2c(n1CCSc1nc3c(s1)cccc3)c(=O)n(c(=O)n2C)C
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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 C22H26N6O2S2 MW 470.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N6O2S2/c1-14-8-6-7-11-27(14)20-24-18-17(19(29)26(3)22(30)25(18)2)28(20)12-13-31-21-23-15-9-4-5-10-16(15)32-21/h4-5,9-10,14H,6-8,11-13H2,1-3H3InChIKey
IOPMGTNVPUXFJS-UHFFFAOYSA-NSynonyms
896597-36-77(2(13benzothiazol2ylsulfanyl)ethyl)13dimethyl8(2methylpiperidin1yl)37dihydro1Hpurine26dione
7(2(13BENZOTHIAZOL2YLSULFANYL)ETHYL)13DIMETHYL8(2METHYLPIPERIDIN1YL)PURINE26DIONE
7(2(benzo(d)thiazol2ylthio)ethyl)13dimethyl8(2methylpiperidin1yl)1Hpurine26(3H7H)dione
7(2BENZOTHIAZOL2YLTHIOETHYL)13DIMETHYL8(2METHYLPIPERIDYL)137TRIHYDROPURINE26DIONE
896597367
CC1CCCCN1C2=NC3=C(N2CCSC4=NC5=CC=CC=C5S4)C(=O)N(C(=O)N3C)C
InChI=1SC22H26N6O2S2c1148671127(14)20241817(19(29)26(3)22(30)25(18)2)28(20)1213312123159451016(15)3221h4591014H681113H213H3
MFCD06594060
ZINC000009242841
ZINC000009243078
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