Vitas-M small molecule compound
4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-bromophenyl naphthalene-1-carboxylate
Catalog ID
STL383519
SMILES N#C/C(=C\c1ccc(c(c1)Br)OC(=O)c1cccc2c1cccc2)/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 C27H15BrN2O2S MW 511.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H15BrN2O2S/c28-22-15-17(14-19(16-29)26-30-23-10-3-4-11-25(23)33-26)12-13-24(22)32-27(31)21-9-5-7-18-6-1-2-8-20(18)21/h1-15H/b19-14+InChIKey
SJHILWMFIQPSHI-XMHGGMMESA-NSynonyms
(4((E)2(13BENZOTHIAZOL2YL)2CYANOETHENYL)2BROMOPHENYL)NAPHTHALENE1CARBOXYLATE
4((E)2(13benzothiazol2yl)2cyanoethenyl)2bromophenylnaphthalene1carboxylate
C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=C(C=C(C=C3)C=C(C#N)C4=NC5=CC=CC=C5S4)Br
InChI=1SC27H15BrN2O2Sc28221517(1419(1629)26302310341125(23)3326)121324(22)3227(31)2195718612820(18)21h115Hb1914+
MFCD03155115
N#CC(=Cc1ccc(c(c1)Br)OC(=O)c1cccc2c1cccc2)c1nc2c(s1)cccc2
ZINC000012585876
ZINC12585876
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