Vitas-M small molecule compound

N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-{[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanyl}acetamide

Catalog ID
STK614281
SMILES N#Cc1c(SCC(=O)/N=c\2/sc3c([nH]2)cccc3)nc(cc1c1ccccc1)c1ccc(cc1)F

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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 C27H17FN4OS2 MW 496.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17FN4OS2/c28-19-12-10-18(11-13-19)23-14-20(17-6-2-1-3-7-17)21(15-29)26(30-23)34-16-25(33)32-27-31-22-8-4-5-9-24(22)35-27/h1-14H,16H2,(H,31,32,33)
InChIKey
DKLLLJXPXIYQKP-UHFFFAOYSA-N
Synonyms
313380-14-2
313380142
C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)F
InChI=1SC27H17FN4OS2c2819121018(111319)231420(176213717)21(1529)26(3023)341625(33)32273122845924(22)3527h114H16H2(H313233)
MFCD08736424
N#Cc1c(SCC(=O)N=c2sc3c((nH)2)cccc3)nc(cc1c1ccccc1)c1ccc(cc1)F
N((2E)13benzothiazol2(3H)ylidene)2((3cyano6(4fluorophenyl)4phenylpyridin2yl)sulfanyl)acetamide
N(13BENZOTHIAZOL2YL)2((3CYANO6(4FLUOROPHENYL)4PHENYL2PYRIDINYL)SULFANYL)ACETAMIDE
N(13BENZOTHIAZOL2YL)2(3CYANO6(4FLUOROPHENYL)4PHENYLPYRIDIN2YL)SULFANYLACETAMIDE
NBENZOTHIAZOL2YL2(3CYANO6(4FLUOROPHENYL)4PHENYL(2PYRIDYLTHIO))ACETAMIDE
ZINC000008744328
ZINC08744328
ZINC8744328

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Available files

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