Vitas-M small molecule compound
4-butoxy-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide
Catalog ID
STK085079
SMILES CCCCOc1ccc(cc1)C(=O)NC(=S)Nc1cc(ccc1F)[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 C18H18FN3O4S MW 391.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18FN3O4S/c1-2-3-10-26-14-7-4-12(5-8-14)17(23)21-18(27)20-16-11-13(22(24)25)6-9-15(16)19/h4-9,11H,2-3,10H2,1H3,(H2,20,21,23,27)InChIKey
VOEGPROOMKBYAG-UHFFFAOYSA-NSynonyms
4BUTOXYN((2FLUORO5NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)(N+)(=O)(O))F
CCCCOc1ccc(cc1)C(=O)NC(=S)Nc1cc(ccc1F)(N+)(=O)(O)
InChI=1SC18H18FN3O4Sc1231026147412(5814)17(23)2118(27)20161113(22(24)25)6915(16)19h4911H2310H21H3(H220212327)
MFCD02626848
STK085079
ZINC000002990991
ZINC02990991
ZINC2990991
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