Vitas-M small molecule compound
benzyl 4-{5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate
Catalog ID
STK234879
SMILES N#C/C(=C/c1ccc(o1)c1ccc(cc1)C(=O)OCc1ccccc1)/c1nc2c(s1)cccc2
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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 C28H18N2O3S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18N2O3S/c29-17-22(27-30-24-8-4-5-9-26(24)34-27)16-23-14-15-25(33-23)20-10-12-21(13-11-20)28(31)32-18-19-6-2-1-3-7-19/h1-16H,18H2/b22-16-InChIKey
RCCJASDOYQBXBS-JWGURIENSA-NSynonyms
benzyl4(5((Z)2(13benzothiazol2yl)2cyanoethenyl)furan2yl)benzoate
C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C3=CC=C(O3)C=C(C#N)C4=NC5=CC=CC=C5S4
InChI=1SC28H18N2O3Sc291722(273024845926(24)3427)1623141525(3323)20101221(131120)28(31)3218196213719h116H18H2b2216
MFCD08680903
N#CC(=Cc1ccc(o1)c1ccc(cc1)C(=O)OCc1ccccc1)c1nc2c(s1)cccc2
ZINC000009189871
ZINC09189871
ZINC9189871
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