Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-nitrobenzamide
Catalog ID
STK729999
SMILES N#Cc1c(NC(=O)c2cccc(c2C)[N+](=O)[O-])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 C17H15N3O3S MW 341.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O3S/c1-10-11(6-4-7-14(10)20(22)23)16(21)19-17-13(9-18)12-5-2-3-8-15(12)24-17/h4,6-7H,2-3,5,8H2,1H3,(H,19,21)InChIKey
HBLKZHPDMSAGFG-UHFFFAOYSA-NSynonyms
313667-00-4313667004
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC2=C(C3=C(S2)CCCC3)C#N
InChI=1SC17H15N3O3Sc11011(64714(10)20(22)23)16(21)191713(918)12523815(12)2417h467H2358H21H3(H1921)
MFCD00806996
N#Cc1c(NC(=O)c2cccc(c2C)(N+)(=O)(O))sc2c1CCCC2
N(3cyano4567tetrahydro1benzothiophen2yl)2methyl3nitrobenzamide
ZINC000000062529
ZINC00062529
ZINC62529
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