Vitas-M small molecule compound
4-nitro-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide
Catalog ID
STK809608
SMILES N#Cc1c(sc2c1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C18H15Cl3N4O3S MW 473.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15Cl3N4O3S/c19-18(20,21)17(23-15(26)10-5-7-11(8-6-10)25(27)28)24-16-13(9-22)12-3-1-2-4-14(12)29-16/h5-8,17,24H,1-4H2,(H,23,26)InChIKey
XLTVRMNHBCTBAU-UHFFFAOYSA-NSynonyms
4nitroN(222trichloro1((3cyano4567tetrahydro1benzothiophen2yl)amino)ethyl)benzamide
C1CCC2=C(C1)C(=C(S2)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C#N
InChI=1SC18H15Cl3N4O3Sc1918(2021)17(2315(26)105711(8610)25(27)28)241613(922)12312414(12)2916h581724H14H2(H2326)
MFCD00696389
N#Cc1c(sc2c1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000002071609
ZINC000002071610
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