Vitas-M small molecule compound

N-[(1Z)-1-(1,3-benzothiazol-2-ylsulfanyl)-3-oxo-1-phenyl-3-(piperidin-1-yl)prop-1-en-2-yl]benzamide

Catalog ID
STL326589
SMILES O=C(/C(=C(\c1ccccc1)/Sc1nc2c(s1)cccc2)/NC(=O)c1ccccc1)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 C28H25N3O2S2 MW 499.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O2S2/c32-26(21-14-6-2-7-15-21)30-24(27(33)31-18-10-3-11-19-31)25(20-12-4-1-5-13-20)35-28-29-22-16-8-9-17-23(22)34-28/h1-2,4-9,12-17H,3,10-11,18-19H2,(H,30,32)/b25-24-
InChIKey
NKMGDKLSQOBPEO-IZHYLOQSSA-N
Synonyms
300669-72-1
(Z)N(1(benzo(d)thiazol2ylthio)3oxo1phenyl3(piperidin1yl)prop1en2yl)benzamide
300669721
C1CCN(CC1)C(=O)C(=C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4S3)NC(=O)C5=CC=CC=C5
InChI=1SC28H25N3O2S2c3226(21146271521)3024(27(33)3118103111931)25(20124151320)3528292216891723(22)3428h12491217H310111819H2(H3032)b2524
MFCD00546953
N((1Z)1(13benzothiazol2ylsulfanyl)3oxo1phenyl3(piperidin1yl)prop1en2yl)benzamide
N((Z)1(13BENZOTHIAZOL2YLSULFANYL)3OXO1PHENYL3PIPERIDIN1YLPROP1EN2YL)BENZAMIDE
N(2(13BENZOTHIAZOL2YLSULFANYL)2PHENYL1(1PIPERIDINYLCARBONYL)VINYL)BENZAMIDE
O=C(C(=C(c1ccccc1)Sc1nc2c(s1)cccc2)NC(=O)c1ccccc1)N1CCCCC1
ZINC000008398253
ZINC08398253
ZINC8398253

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.