Vitas-M small molecule compound
ethyl 3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoate
Catalog ID
STK181131
SMILES CCOC(=O)c1cccc(c1)c1ccc(o1)/C=C(/c1nc2c(s1)cccc2)\C#N
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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 C23H16N2O3S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N2O3S/c1-2-27-23(26)16-7-5-6-15(12-16)20-11-10-18(28-20)13-17(14-24)22-25-19-8-3-4-9-21(19)29-22/h3-13H,2H2,1H3/b17-13+InChIKey
YTUAHHIJHGWSGM-GHRIWEEISA-NSynonyms
CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4S3
CCOC(=O)c1cccc(c1)c1ccc(o1)C=C(c1nc2c(s1)cccc2)C#N
ETHYL3(5((E)2(13BENZOTHIAZOL2YL)2CYANOETHENYL)FURAN2YL)BENZOATE
InChI=1SC23H16N2O3Sc122723(26)1675615(1216)20111018(2820)1317(1424)222519834921(19)2922h313H2H21H3b1713+
MFCD03927938
ZINC000004720745
ZINC04720745
ZINC4720745
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