Vitas-M small molecule compound
7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-6-hydroxy-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STL055610
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2c(n1CCCSc1nc3c(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 C27H29N7O3S2 MW 563.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N7O3S2/c1-31-23-22(24(35)30-26(31)36)34(12-5-17-38-27-28-20-6-3-4-7-21(20)39-27)25(29-23)33-15-13-32(14-16-33)18-8-10-19(37-2)11-9-18/h3-4,6-11H,5,12-17H2,1-2H3,(H,30,35,36)InChIKey
CYBQIBFUHRPUFT-UHFFFAOYSA-NSynonyms
714917-62-17(3(13benzothiazol2ylsulfanyl)propyl)6hydroxy8(4(4methoxyphenyl)piperazin1yl)3methyl37dihydro2Hpurin2one
7(3(13BENZOTHIAZOL2YLSULFANYL)PROPYL)8(4(4METHOXYPHENYL)PIPERAZIN1YL)3METHYLPURINE26DIONE
714917621
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCCSC5=NC6=CC=CC=C6S5
InChI=1SC27H29N7O3S2c1312322(24(35)3026(31)36)34(1251738272820634721(20)3927)25(2923)33151332(141633)1881019(372)11918h34611H51217H212H3(H303536)
MFCD05732656
ZINC000101461892
ZINC101461892
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