Vitas-M small molecule compound

methyl 4-{(Z)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}benzoate

Catalog ID
STK844614
SMILES N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1cccc(c1)Br

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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 C20H13BrN2O2S MW 425.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13BrN2O2S/c1-25-20(24)14-7-5-13(6-8-14)9-16(11-22)19-23-18(12-26-19)15-3-2-4-17(21)10-15/h2-10,12H,1H3/b16-9-
InChIKey
PBCWUPVYGJONSS-SXGWCWSVSA-N
Synonyms
683249-95-8
(Z)methyl4(2(4(3bromophenyl)thiazol2yl)2cyanovinyl)benzoate
683249958
COC(=O)C1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)Br
InChI=1SC20H13BrN2O2Sc12520(24)147513(6814)916(1122)192318(122619)1532417(21)1015h21012H1H3b169
methyl4((Z)2(4(3bromophenyl)13thiazol2yl)2cyanoethenyl)benzoate
MFCD03671151
N#CC(=Cc1ccc(cc1)C(=O)OC)c1scc(n1)c1cccc(c1)Br
ZINC000013658762
ZINC13658762

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Available files

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