Vitas-M small molecule compound
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL046795
SMILES Clc1cccc(c1)N1CCN(CC1)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 C26H26ClN7O2S2 MW 568.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN7O2S2/c1-30-22-21(23(35)31(2)26(30)36)34(14-15-37-25-28-19-8-3-4-9-20(19)38-25)24(29-22)33-12-10-32(11-13-33)18-7-5-6-17(27)16-18/h3-9,16H,10-15H2,1-2H3InChIKey
YJWZRBAQGFKDFU-UHFFFAOYSA-NSynonyms
672332-08-0672332080
7(2(13benzothiazol2ylsulfanyl)ethyl)8(4(3chlorophenyl)piperazin1yl)13dimethyl37dihydro1Hpurine26dione
7(2(13BENZOTHIAZOL2YLSULFANYL)ETHYL)8(4(3CHLOROPHENYL)PIPERAZIN1YL)13DIMETHYLPURINE26DIONE
7(2(BENZO(D)THIAZOL2YLTHIO)ETHYL)8(4(3CHLOROPHENYL)PIPERAZIN1YL)13DIMETHYL1HPURINE26(3H7H)DIONE
7(2BENZOTHIAZOL2YLTHIOETHYL)8(4(3CHLOROPHENYL)PIPERAZINYL)13DIMETHYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCSC5=NC6=CC=CC=C6S5
InChI=1SC26H26ClN7O2S2c1302221(23(35)31(2)26(30)36)34(141537252819834920(19)3825)24(2922)33121032(111333)1875617(27)1618h3916H1015H212H3
MFCD04074423
ZINC000001311906
ZINC01311906
ZINC1311906
Check stock
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Check stock on Vitas-MAvailable files
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