Vitas-M small molecule compound
3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl naphthalene-1-carboxylate
Catalog ID
STK522870
SMILES N#C/C(=C\c1cccc(c1)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 C27H16N2O2S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H16N2O2S/c28-17-20(26-29-24-13-3-4-14-25(24)32-26)15-18-7-5-10-21(16-18)31-27(30)23-12-6-9-19-8-1-2-11-22(19)23/h1-16H/b20-15+InChIKey
GASMQDZNFDKFKH-HMMYKYKNSA-NSynonyms
(3((E)2(13BENZOTHIAZOL2YL)2CYANOETHENYL)PHENYL)NAPHTHALENE1CARBOXYLATE
3((E)2(13benzothiazol2yl)2cyanoethenyl)phenylnaphthalene1carboxylate
C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=CC(=C3)C=C(C#N)C4=NC5=CC=CC=C5S4
InChI=1SC27H16N2O2Sc281720(26292413341425(24)3226)1518751021(1618)3127(30)231269198121122(19)23h116Hb2015+
MFCD03155088
N#CC(=Cc1cccc(c1)OC(=O)c1cccc2c1cccc2)c1nc2c(s1)cccc2
ZINC000012585798
ZINC12585798
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