Vitas-M small molecule compound
4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-chloro-6-methoxyphenyl benzenesulfonate
Catalog ID
STK386354
SMILES N#C/C(=C/c1cc(Cl)c(c(c1)OC)OS(=O)(=O)c1ccccc1)/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 C23H15ClN2O4S2 MW 482.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15ClN2O4S2/c1-29-20-13-15(11-16(14-25)23-26-19-9-5-6-10-21(19)31-23)12-18(24)22(20)30-32(27,28)17-7-3-2-4-8-17/h2-13H,1H3/b16-11-InChIKey
AIJRACGTFZZTHW-WJDWOHSUSA-NSynonyms
(4((Z)2(13benzothiazol2yl)2cyanoethenyl)2chloro6methoxyphenyl)benzenesulfonate
4((Z)2(13BENZOTHIAZOL2YL)2CYANOETHENYL)2CHLORO6METHOXYPHENYLBENZENESULFONATE
COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)Cl)OS(=O)(=O)C4=CC=CC=C4
InChI=1SC23H15ClN2O4S2c129201315(1116(1425)2326199561021(19)3123)1218(24)22(20)3032(2728)177324817h213H1H3b1611
MFCD11853421
N#CC(=Cc1cc(Cl)c(c(c1)OC)OS(=O)(=O)c1ccccc1)c1nc2c(s1)cccc2
ZINC000023402588
ZINC23402588
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