Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-enenitrile
Catalog ID
STL000494
SMILES N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])N(C)C)/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 C18H14N4O2S MW 350.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4O2S/c1-21(2)15-8-7-12(10-16(15)22(23)24)9-13(11-19)18-20-14-5-3-4-6-17(14)25-18/h3-10H,1-2H3/b13-9-InChIKey
CYSGVLXNNOBORU-LCYFTJDESA-NSynonyms
336168-19-5(2Z)2(13benzothiazol2yl)3(4(dimethylamino)3nitrophenyl)prop2enenitrile
(Z)2(13BENZOTHIAZOL2YL)3(4(DIMETHYLAMINO)3NITROPHENYL)PROP2ENENITRILE
(Z)2(benzo(d)thiazol2yl)3(4(dimethylamino)3nitrophenyl)acrylonitrile
2BENZOTHIAZOL2YL3(4DIMETHYLAMINO3NITROPHENYL)ACRYLONITRILE
336168195
CN(C)C1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)(N+)(=O)(O)
InChI=1SC18H14N4O2Sc121(2)158712(1016(15)22(23)24)913(1119)182014534617(14)2518h310H12H3b139
MFCD01832619
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))N(C)C)c1nc2c(s1)cccc2
ZINC000013635188
ZINC13635188
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