Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-chloro-2,4-dimethoxyphenyl)prop-2-enenitrile
Catalog ID
STL387350
SMILES N#C/C(=C\c1cc(Cl)c(cc1OC)OC)/Sc1nc2c(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 C18H13ClN2O2S2 MW 388.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN2O2S2/c1-22-15-9-16(23-2)13(19)8-11(15)7-12(10-20)24-18-21-14-5-3-4-6-17(14)25-18/h3-9H,1-2H3/b12-7+InChIKey
IOBPUGFNKVMDNX-KPKJPENVSA-NSynonyms
(2E)2(13benzothiazol2ylsulfanyl)3(5chloro24dimethoxyphenyl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YLSULFANYL)3(5CHLORO24DIMETHOXYPHENYL)PROP2ENENITRILE
COC1=CC(=C(C=C1C=C(C#N)SC2=NC3=CC=CC=C3S2)Cl)OC
InChI=1SC18H13ClN2O2S2c12215916(232)13(19)811(15)712(1020)24182114534617(14)2518h39H12H3b127+
MFCD07178612
N#CC(=Cc1cc(Cl)c(cc1OC)OC)Sc1nc2c(s1)cccc2
ZINC000017079409
ZINC17079409
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