Vitas-M small molecule compound

N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-chloro-2-nitrobenzamide

Catalog ID
STK421098
SMILES N#Cc1c(NC(=O)c2ccc(cc2[N+](=O)[O-])Cl)sc2c1CCC(C2)C(C)(C)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 C20H20ClN3O3S MW 417.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O3S/c1-20(2,3)11-4-6-13-15(10-22)19(28-17(13)8-11)23-18(25)14-7-5-12(21)9-16(14)24(26)27/h5,7,9,11H,4,6,8H2,1-3H3,(H,23,25)
InChIKey
FOGIYLJIRIFPGI-UHFFFAOYSA-N
Synonyms
438465-26-0
438465260
CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC20H20ClN3O3Sc120(23)11461315(1022)19(2817(13)811)2318(25)147512(21)916(14)24(26)27h57911H468H213H3(H2325)
MFCD02054897
N#Cc1c(NC(=O)c2ccc(cc2(N+)(=O)(O))Cl)sc2c1CCC(C2)C(C)(C)C
N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)4chloro2nitrobenzamide
ZINC000000673733
ZINC000000673735

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Available files

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