Vitas-M small molecule compound
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK849286
SMILES CC1CCCN(C1)c1nc2c(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/c1-14-7-6-10-27(13-14)20-24-18-17(19(29)26(3)22(30)25(18)2)28(20)11-12-31-21-23-15-8-4-5-9-16(15)32-21/h4-5,8-9,14H,6-7,10-13H2,1-3H3InChIKey
MFEWOASOCGWVJY-UHFFFAOYSA-NSynonyms
850914-53-37(2(13benzothiazol2ylsulfanyl)ethyl)13dimethyl8(3methylpiperidin1yl)37dihydro1Hpurine26dione
7(2(13BENZOTHIAZOL2YLSULFANYL)ETHYL)13DIMETHYL8(3METHYLPIPERIDIN1YL)PURINE26DIONE
7(2(BENZO(D)THIAZOL2YLTHIO)ETHYL)13DIMETHYL8(3METHYLPIPERIDIN1YL)1HPURINE26(3H7H)DIONE
7(2BENZOTHIAZOL2YLTHIOETHYL)13DIMETHYL8(3METHYLPIPERIDYL)137TRIHYDROPURINE26DIONE
850914533
CC1CCCN(C1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5S4)C(=O)N(C(=O)N3C)C
InChI=1SC22H26N6O2S2c114761027(1314)20241817(19(29)26(3)22(30)25(18)2)28(20)111231212315845916(15)3221h458914H671013H213H3
MFCD04456925
ZINC000002341660
ZINC000002341661
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