Vitas-M small molecule compound

2-[(6-{[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-fluorophenyl)ethanone

Catalog ID
STK139520
SMILES Fc1ccc(cc1)C(=O)CSc1nc2c(s1)cc(cc2)Nc1nc(nc(n1)N1CCCCC1)N1CCCCC1

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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 C28H30FN7OS2 MW 563.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FN7OS2/c29-20-9-7-19(8-10-20)23(37)18-38-28-31-22-12-11-21(17-24(22)39-28)30-25-32-26(35-13-3-1-4-14-35)34-27(33-25)36-15-5-2-6-16-36/h7-12,17H,1-6,13-16,18H2,(H,30,32,33,34)
InChIKey
GBFXAKXTSDZCOV-UHFFFAOYSA-N
Synonyms

2((6((46DI(1PIPERIDINYL)135TRIAZIN2YL)AMINO)13BENZOTHIAZOL2YL)SULFANYL)1(4FLUOROPHENYL)ETHANONE
2((6((46DI(PIPERIDIN1YL)135TRIAZIN2YL)AMINO)13BENZOTHIAZOL2YL)SULFANYL)1(4FLUOROPHENYL)ETHANONE
2(6(46DI(PIPERIDIN1YL)135TRIAZIN2YLAMINO)BENZO(D)THIAZOL2YLTHIO)1(4FLUOROPHENYL)ETHANONE
C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)C5=CC=C(C=C5)F)N6CCCCC6
InChI=1SC28H30FN7OS2c29209719(81020)23(37)1838283122121121(1724(22)3928)30253226(35133141435)3427(3325)36155261636h71217H16131618H2(H30323334)
MFCD03877708
ZINC000008438268
ZINC08438268
ZINC8438268

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Available files

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