Vitas-M small molecule compound

6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-[4-(diphenylmethyl)piperazin-1-yl]pyrimidin-4(3H)-one

Catalog ID
STK217862
SMILES O=c1cc(CSc2nc3c(s2)cccc3)nc([nH]1)N1CCN(CC1)C(c1ccccc1)c1ccccc1

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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 C29H27N5OS2 MW 525.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5OS2/c35-26-19-23(20-36-29-31-24-13-7-8-14-25(24)37-29)30-28(32-26)34-17-15-33(16-18-34)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,19,27H,15-18,20H2,(H,30,32,35)
InChIKey
IKCJXQSTJQCNNR-UHFFFAOYSA-N
Synonyms

2(4BENZHYDRYLPIPERAZIN1YL)6((BENZO(D)THIAZOL2YLTHIO)METHYL)PYRIMIDIN4(3H)ONE
2(4BENZHYDRYLPIPERAZIN1YL)6(13BENZOTHIAZOL2YLSULFANYLMETHYL)1HPYRIMIDIN4ONE
6((13benzothiazol2ylsulfanyl)methyl)2(4(diphenylmethyl)piperazin1yl)pyrimidin4(3H)one
6(BENZOTHIAZOL2YLTHIOMETHYL)2(4(DIPHENYLMETHYL)PIPERAZINYL)3HYDROPYRIMIDIN4ONE
C1CN(CCN1C2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3)C(C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC29H27N5OS2c35261923(203629312413781425(24)3729)3028(3226)34171533(161834)27(2193141021)22115261222h1141927H151820H2(H303235)
MFCD07181059
O=c1cc(CSc2nc3c(s2)cccc3)nc((nH)1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
ZINC000019913799
ZINC19913799

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Available files

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