Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-{3,5-dichloro-4-[(2-chlorobenzyl)oxy]phenyl}prop-2-enenitrile
Catalog ID
STK362078
SMILES N#C/C(=C\c1cc(Cl)c(c(c1)Cl)OCc1ccccc1Cl)/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 C23H13Cl3N2OS MW 471.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H13Cl3N2OS/c24-17-6-2-1-5-15(17)13-29-22-18(25)10-14(11-19(22)26)9-16(12-27)23-28-20-7-3-4-8-21(20)30-23/h1-11H,13H2/b16-9+InChIKey
SQJBUWKIIZZIAJ-CXUHLZMHSA-NSynonyms
380476-78-8(2E)2(13BENZOTHIAZOL2YL)3(35DICHLORO4((2CHLOROBENZYL)OXY)PHENYL)PROP2ENENITRILE
(E)2(13BENZOTHIAZOL2YL)3(35DICHLORO4((2CHLOROPHENYL)METHOXY)PHENYL)PROP2ENENITRILE
380476788
C1=CC=C(C(=C1)COC2=C(C=C(C=C2Cl)C=C(C#N)C3=NC4=CC=CC=C4S3)Cl)Cl
InChI=1SC23H13Cl3N2OSc2417621515(17)13292218(25)1014(1119(22)26)916(1227)232820734821(20)3023h111H13H2b169+
MFCD02915015
N#CC(=Cc1cc(Cl)c(c(c1)Cl)OCc1ccccc1Cl)c1nc2c(s1)cccc2
ZINC000012585912
ZINC12585912
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