Vitas-M small molecule compound
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-chloro-3-nitrobenzamide
Catalog ID
STL169140
SMILES N#Cc1c(NC(=O)c2ccc(c(c2)[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)12-5-6-13-14(10-22)19(28-17(13)9-12)23-18(25)11-4-7-15(21)16(8-11)24(26)27/h4,7-8,12H,5-6,9H2,1-3H3,(H,23,25)InChIKey
CYBYBCTVEVQLQK-UHFFFAOYSA-NSynonyms
353784-84-6353784846
CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC20H20ClN3O3Sc120(23)12561314(1022)19(2817(13)912)2318(25)114715(21)16(811)24(26)27h47812H569H213H3(H2325)
MFCD01338112
N#Cc1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))Cl)sc2c1CCC(C2)C(C)(C)C
N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)4chloro3nitrobenzamide
ZINC000000994642
ZINC000000994643
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