Vitas-M small molecule compound
4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitrobenzamide
Catalog ID
STK729997
SMILES N#Cc1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)sc2c1CCCC2
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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 C16H12ClN3O3S MW 361.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O3S/c17-12-6-5-9(7-13(12)20(22)23)15(21)19-16-11(8-18)10-3-1-2-4-14(10)24-16/h5-7H,1-4H2,(H,19,21)InChIKey
OBEDQZOTSNVXBA-UHFFFAOYSA-NSynonyms
4chloroN(3cyano4567tetrahydro1benzothiophen2yl)3nitrobenzamide
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C#N
InChI=1SC16H12ClN3O3Sc1712659(713(12)20(22)23)15(21)191611(818)10312414(10)2416h57H14H2(H1921)
MFCD00806995
N#Cc1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))Cl)sc2c1CCCC2
ZINC000000831002
ZINC00831002
ZINC831002
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