Vitas-M small molecule compound
4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl 4-methylbenzoate
Catalog ID
STL383512
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccc(cc1)C)/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 C24H16N2O2S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N2O2S/c1-16-6-10-18(11-7-16)24(27)28-20-12-8-17(9-13-20)14-19(15-25)23-26-21-4-2-3-5-22(21)29-23/h2-14H,1H3/b19-14+InChIKey
NTZCADRZBOTKLW-XMHGGMMESA-NSynonyms
(4((E)2(13BENZOTHIAZOL2YL)2CYANOETHENYL)PHENYL)4METHYLBENZOATE
4((E)2(13benzothiazol2yl)2cyanoethenyl)phenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4S3
InChI=1SC24H16N2O2Sc11661018(11716)24(27)282012817(91320)1419(1525)232621423522(21)2923h214H1H3b1914+
MFCD03478420
N#CC(=Cc1ccc(cc1)OC(=O)c1ccc(cc1)C)c1nc2c(s1)cccc2
ZINC000004966333
ZINC04966333
ZINC4966333
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