Vitas-M small molecule compound
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3-nitrobenzoic acid
Catalog ID
STK675923
SMILES N#Cc1c(sc2c1CCCC2)NC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]
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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 C17H13N3O5S MW 371.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5S/c18-8-11-9-4-1-2-7-13(9)26-16(11)19-15(21)14-10(17(22)23)5-3-6-12(14)20(24)25/h3,5-6H,1-2,4,7H2,(H,19,21)(H,22,23)InChIKey
ZJJQLKGYGAFKHA-UHFFFAOYSA-NSynonyms
2((3cyano4567tetrahydro1benzothiophen2yl)carbamoyl)3nitrobenzoicacid
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC=C3(N+)(=O)(O))C(=O)O)C#N
InChI=1SC17H13N3O5Sc188119412713(9)2616(11)1915(21)1410(17(22)23)53612(14)20(24)25h356H1247H2(H1921)(H2223)
MFCD01627570
N#Cc1c(sc2c1CCCC2)NC(=O)c1c(cccc1C(=O)O)(N+)(=O)(O)
ZINC000002816210
ZINC2816210
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