Vitas-M small molecule compound
3-bromo-4-methoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Catalog ID
STK075531
SMILES COc1ccc(cc1Br)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 C16H14BrN3O4S MW 424.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrN3O4S/c1-9-7-11(20(22)23)4-5-13(9)18-16(25)19-15(21)10-3-6-14(24-2)12(17)8-10/h3-8H,1-2H3,(H2,18,19,21,25)InChIKey
DPJBNAOWLFJMSJ-UHFFFAOYSA-NSynonyms
3BROMO4METHOXYN((2METHYL4NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br
COc1ccc(cc1Br)C(=O)NC(=S)Nc1ccc(cc1C)(N+)(=O)(O)
InChI=1SC16H14BrN3O4Sc19711(20(22)23)4513(9)1816(25)1915(21)103614(242)12(17)810h38H12H3(H218192125)
MFCD02810477
STK075531
ZINC000009635909
ZINC09635909
ZINC9635909
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