Vitas-M small molecule compound
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STL053623
SMILES Clc1cccc(c1)N1CCN(CC1)c1nc2c(n1CCSc1nc3c(s1)cccc3)c(O)nc(=O)n2C
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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 C25H24ClN7O2S2 MW 554.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN7O2S2/c1-30-21-20(22(34)29-24(30)35)33(13-14-36-25-27-18-7-2-3-8-19(18)37-25)23(28-21)32-11-9-31(10-12-32)17-6-4-5-16(26)15-17/h2-8,15H,9-14H2,1H3,(H,29,34,35)InChIKey
WANDIBNKYDCMTD-UHFFFAOYSA-NSynonyms
716339-99-07(2(13BENZOTHIAZOL2YLSULFANYL)ETHYL)8(4(3CHLOROPHENYL)PIPERAZIN1YL)3METHYLPURINE26DIONE
7(2(13benzothiazol2ylsulfanyl)ethyl)8(4(3chlorophenyl)piperazin1yl)6hydroxy3methyl37dihydro2Hpurin2one
7(2(BENZO(D)THIAZOL2YLTHIO)ETHYL)8(4(3CHLOROPHENYL)PIPERAZIN1YL)3METHYL1HPURINE26(3H7H)DIONE
7(2BENZOTHIAZOL2YLTHIOETHYL)8(4(3CHLOROPHENYL)PIPERAZINYL)3METHYL137TRIHYDROPURINE26DIONE
716339990
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCSC5=NC6=CC=CC=C6S5
InChI=1SC25H24ClN7O2S2c1302120(22(34)2924(30)35)33(131436252718723819(18)3725)23(2821)3211931(101232)1764516(26)1517h2815H914H21H3(H293435)
MFCD05738560
ZINC000001279596
ZINC01279596
ZINC1279596
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.