Vitas-M small molecule compound
5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl benzoate
Catalog ID
STL383509
SMILES N#C/C(=C\c1ccc(c(c1)OC(=O)c1ccccc1)OC)/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 C24H16N2O3S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N2O3S/c1-28-20-12-11-16(14-21(20)29-24(27)17-7-3-2-4-8-17)13-18(15-25)23-26-19-9-5-6-10-22(19)30-23/h2-14H,1H3/b18-13+InChIKey
STYHGKRQIRXMLF-QGOAFFKASA-NSynonyms
(5((E)2(13BENZOTHIAZOL2YL)2CYANOETHENYL)2METHOXYPHENYL)BENZOATE
5((E)2(13benzothiazol2yl)2cyanoethenyl)2methoxyphenylbenzoate
COC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4
InChI=1SC24H16N2O3Sc12820121116(1421(20)2924(27)177324817)1318(1525)2326199561022(19)3023h214H1H3b1813+
MFCD03478399
N#CC(=Cc1ccc(c(c1)OC(=O)c1ccccc1)OC)c1nc2c(s1)cccc2
ZINC000004966327
ZINC04966327
ZINC4966327
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