Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-chloro-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile
Catalog ID
STL002755
SMILES N#C/C(=C/c1cc(O)c(c(c1)Cl)OC)/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 C17H11ClN2O2S MW 342.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClN2O2S/c1-22-16-12(18)7-10(8-14(16)21)6-11(9-19)17-20-13-4-2-3-5-15(13)23-17/h2-8,21H,1H3/b11-6-InChIKey
XQZFKWXCFVXLMO-WDZFZDKYSA-NSynonyms
392739-40-1(2Z)2(13benzothiazol2yl)3(3chloro5hydroxy4methoxyphenyl)prop2enenitrile
(2Z)2BENZOTHIAZOL2YL3(5CHLORO3HYDROXY4METHOXYPHENYL)PROP2ENENITRILE
(Z)2(13BENZOTHIAZOL2YL)3(3CHLORO5HYDROXY4METHOXYPHENYL)PROP2ENENITRILE
(Z)2(benzo(d)thiazol2yl)3(3chloro5hydroxy4methoxyphenyl)acrylonitrile
392739401
COC1=C(C=C(C=C1Cl)C=C(C#N)C2=NC3=CC=CC=C3S2)O
InChI=1SC17H11ClN2O2Sc1221612(18)710(814(16)21)611(919)172013423515(13)2317h2821H1H3b116
MFCD02286224
N#CC(=Cc1cc(O)c(c(c1)Cl)OC)c1nc2c(s1)cccc2
ZINC000004994549
ZINC04994549
ZINC4994549
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