Vitas-M small molecule compound
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-4-methyl-3-nitrobenzamide
Catalog ID
STK172757
SMILES CCc1ccc(c(c1)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])C)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 C17H17N3O4S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O4S/c1-3-11-5-7-15(21)13(8-11)18-17(25)19-16(22)12-6-4-10(2)14(9-12)20(23)24/h4-9,21H,3H2,1-2H3,(H2,18,19,22,25)InChIKey
QFVWPMRSXJHUFW-UHFFFAOYSA-NSynonyms
CCC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC(=C(C=C2)C)(N+)(=O)(O)
CCc1ccc(c(c1)NC(=S)NC(=O)c1ccc(c(c1)(N+)(=O)(O))C)O
InChI=1SC17H17N3O4Sc13115715(21)13(811)1817(25)1916(22)126410(2)14(912)20(23)24h4921H3H212H3(H218192225)
MFCD02922972
N((5ETHYL2HYDROXYPHENYL)CARBAMOTHIOYL)4METHYL3NITROBENZAMIDE
ZINC000001180970
ZINC01180970
ZINC1180970
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