Vitas-M small molecule compound
3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Catalog ID
STK097115
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccc(cc1C)[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 C21H25N3O6S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O6S/c1-5-28-17-11-14(12-18(29-6-2)19(17)30-7-3)20(25)23-21(31)22-16-9-8-15(24(26)27)10-13(16)4/h8-12H,5-7H2,1-4H3,(H2,22,23,25,31)InChIKey
BVHROCAWVJUTOJ-UHFFFAOYSA-NSynonyms
345TRIETHOXYN((2METHYL4NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=C(C=C2)(N+)(=O)(O))C
CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccc(cc1C)(N+)(=O)(O)
InChI=1SC21H25N3O6Sc1528171114(1218(2962)19(17)3073)20(25)2321(31)22169815(24(26)27)1013(16)4h812H57H214H3(H222232531)
MFCD02630958
STK097115
ZINC000009730808
ZINC09730808
ZINC9730808
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