Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-nitrobenzamide
Catalog ID
STK299402
SMILES N#Cc1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])OC)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 C17H15N3O4S MW 357.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4S/c1-24-14-7-6-10(8-13(14)20(22)23)16(21)19-17-12(9-18)11-4-2-3-5-15(11)25-17/h6-8H,2-5H2,1H3,(H,19,21)InChIKey
GRQLKQSEFIRRQT-UHFFFAOYSA-NSynonyms
445021-52-3445021523
COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)(N+)(=O)(O)
InChI=1SC17H15N3O4Sc124147610(813(14)20(22)23)16(21)191712(918)11423515(11)2517h68H25H21H3(H1921)
MFCD01984358
N#Cc1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))OC)sc2c1CCCC2
N(3cyano4567tetrahydro1benzothiophen2yl)4methoxy3nitrobenzamide
ZINC000000695855
ZINC00695855
ZINC695855
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