Vitas-M small molecule compound
7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-(4-benzylpiperazin-1-yl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STL053285
SMILES Cn1c(=O)nc(c2c1nc(n2CCCSc1nc2c(s1)cccc2)N1CCN(CC1)Cc1ccccc1)O
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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 C27H29N7O2S2 MW 547.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N7O2S2/c1-31-23-22(24(35)30-26(31)36)34(12-7-17-37-27-28-20-10-5-6-11-21(20)38-27)25(29-23)33-15-13-32(14-16-33)18-19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3,(H,30,35,36)InChIKey
UPIOUJRHAILFFP-UHFFFAOYSA-NSynonyms
714925-68-57(3(13BENZOTHIAZOL2YLSULFANYL)PROPYL)8(4BENZYLPIPERAZIN1YL)3METHYLPURINE26DIONE
7(3(13benzothiazol2ylsulfanyl)propyl)8(4benzylpiperazin1yl)6hydroxy3methyl37dihydro2Hpurin2one
714925685
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CCCSC5=NC6=CC=CC=C6S5
InChI=1SC27H29N7O2S2c1312322(24(35)3026(31)36)34(127173727282010561121(20)3827)25(2923)33151332(141633)18198324919h26811H71218H21H3(H303536)
MFCD05733735
ZINC000097954069
ZINC97954069
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