Vitas-M small molecule compound
6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4(3H)-one
Catalog ID
STK256445
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc(CSc2nc3c(s2)cccc3)cc(=O)[nH]1
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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 C23H23N5O2S2 MW 465.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O2S2/c1-30-18-8-6-17(7-9-18)27-10-12-28(13-11-27)22-24-16(14-21(29)26-22)15-31-23-25-19-4-2-3-5-20(19)32-23/h2-9,14H,10-13,15H2,1H3,(H,24,26,29)InChIKey
SPEPPHHQDRLFMM-UHFFFAOYSA-NSynonyms
6((13benzothiazol2ylsulfanyl)methyl)2(4(4methoxyphenyl)piperazin1yl)pyrimidin4(3H)one
6(13benzothiazol2ylsulfanylmethyl)2(4(4methoxyphenyl)piperazin1yl)1Hpyrimidin4one
6(BENZOTHIAZOL2YLTHIOMETHYL)2(4(4METHOXYPHENYL)PIPERAZINYL)3HYDROPYRIMIDIN4ONE
COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4
COc1ccc(cc1)N1CCN(CC1)c1nc(CSc2nc3c(s2)cccc3)cc(=O)(nH)1
InChI=1SC23H23N5O2S2c130188617(7918)27101228(131127)222416(1421(29)2622)1531232519423520(19)3223h2914H101315H21H3(H242629)
MFCD08547039
ZINC000009355728
ZINC09355728
ZINC9355728
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