Vitas-M small molecule compound
3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-nitro-1-benzothiophene-2-carboxamide
Catalog ID
STK464615
SMILES N#Cc1c(NC(=O)c2sc3c(c2Cl)ccc(c3)[N+](=O)[O-])sc(c1C)C
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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 C16H10ClN3O3S2 MW 391.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10ClN3O3S2/c1-7-8(2)24-16(11(7)6-18)19-15(21)14-13(17)10-4-3-9(20(22)23)5-12(10)25-14/h3-5H,1-2H3,(H,19,21)InChIKey
IJEWDGAFUCPAIE-UHFFFAOYSA-NSynonyms
(3CHLORO6NITROBENZO(B)THIOPHEN2YL)N(3CYANO45DIMETHYL(2THIENYL))CARBOXAMIDE
3chloroN(3cyano45dimethylthiophen2yl)6nitro1benzothiophene2carboxamide
CC1=C(SC(=C1C#N)NC(=O)C2=C(C3=C(S2)C=C(C=C3)(N+)(=O)(O))Cl)C
InChI=1SC16H10ClN3O3S2c178(2)2416(11(7)618)1915(21)1413(17)10439(20(22)23)512(10)2514h35H12H3(H1921)
MFCD06624809
N#Cc1c(NC(=O)c2sc3c(c2Cl)ccc(c3)(N+)(=O)(O))sc(c1C)C
ZINC000002872600
ZINC02872600
ZINC2872600
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