Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-{3,5-dichloro-4-[(4-chlorobenzyl)oxy]phenyl}prop-2-enenitrile
Catalog ID
STK522866
SMILES N#C/C(=C\c1cc(Cl)c(c(c1)Cl)OCc1ccc(cc1)Cl)/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/c24-17-7-5-14(6-8-17)13-29-22-18(25)10-15(11-19(22)26)9-16(12-27)23-28-20-3-1-2-4-21(20)30-23/h1-11H,13H2/b16-9+InChIKey
KGXIJBKQKVFMBW-CXUHLZMHSA-NSynonyms
379252-44-5(2E)2(13benzothiazol2yl)3(35dichloro4((4chlorobenzyl)oxy)phenyl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(35DICHLORO4((4CHLOROPHENYL)METHOXY)PHENYL)PROP2ENENITRILE
379252445
C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=C(C(=C3)Cl)OCC4=CC=C(C=C4)Cl)Cl)C#N
InChI=1SC23H13Cl3N2OSc24177514(6817)13292218(25)1015(1119(22)26)916(1227)232820312421(20)3023h111H13H2b169+
MFCD03150531
N#CC(=Cc1cc(Cl)c(c(c1)Cl)OCc1ccc(cc1)Cl)c1nc2c(s1)cccc2
ZINC000012576992
ZINC12576992
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