Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-3,5-dinitrobenzamide
Catalog ID
STL382940
SMILES N#Cc1c(NC(=O)c2cc([N+](=O)[O-])c(c(c2)[N+](=O)[O-])C)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 C17H14N4O5S MW 386.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O5S/c1-9-13(20(23)24)6-10(7-14(9)21(25)26)16(22)19-17-12(8-18)11-4-2-3-5-15(11)27-17/h6-7H,2-5H2,1H3,(H,19,22)InChIKey
BLJYBVWMPBHPAQ-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)NC2=C(C3=C(S2)CCCC3)C#N)(N+)(=O)(O)
InChI=1SC17H14N4O5Sc1913(20(23)24)610(714(9)21(25)26)16(22)191712(818)11423515(11)2717h67H25H21H3(H1922)
MFCD01078889
N#Cc1c(NC(=O)c2cc((N+)(=O)(O))c(c(c2)(N+)(=O)(O))C)sc2c1CCCC2
N(3cyano4567tetrahydro1benzothiophen2yl)4methyl35dinitrobenzamide
ZINC000001965178
ZINC01965178
ZINC1965178
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