Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-(2,4-dichloro-5-nitrophenyl)prop-2-enenitrile
Catalog ID
STL432570
SMILES N#C/C(=C\c1cc([N+](=O)[O-])c(cc1Cl)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 C16H7Cl2N3O2S MW 376.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H7Cl2N3O2S/c17-11-7-12(18)14(21(22)23)6-9(11)5-10(8-19)16-20-13-3-1-2-4-15(13)24-16/h1-7H/b10-5+InChIKey
NDFUISXJUYEXRT-BJMVGYQFSA-NSynonyms
(2E)2(13benzothiazol2yl)3(24dichloro5nitrophenyl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(24DICHLORO5NITROPHENYL)PROP2ENENITRILE
C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=C(C=C3Cl)Cl)(N+)(=O)(O))C#N
InChI=1SC16H7Cl2N3O2Sc1711712(18)14(21(22)23)69(11)510(819)162013312415(13)2416h17Hb105+
MFCD01784729
N#CC(=Cc1cc((N+)(=O)(O))c(cc1Cl)Cl)c1nc2c(s1)cccc2
ZINC000005777538
ZINC05777538
ZINC5777538
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