Vitas-M small molecule compound
N-[(3,4-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
Catalog ID
STK070198
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc(c(c1)C)C
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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/c1-10-4-6-13(8-11(10)2)18-17(25)19-16(21)12-5-7-15(24-3)14(9-12)20(22)23/h4-9H,1-3H3,(H2,18,19,21,25)InChIKey
XABIOERHWYHMDI-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)(N+)(=O)(O))C
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc(c(c1)C)C
InChI=1SC17H17N3O4Sc1104613(811(10)2)1817(25)1916(21)125715(243)14(912)20(22)23h49H13H3(H218192125)
MFCD02625241
N((34DIMETHYLPHENYL)CARBAMOTHIOYL)4METHOXY3NITROBENZAMIDE
STK070198
ZINC000002978412
ZINC02978412
ZINC2978412
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