Vitas-M small molecule compound
(2E)-3-(4-chlorophenyl)-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]prop-2-enamide
Catalog ID
STK049787
SMILES O=C(NC(=S)Nc1ccc(c(c1)[N+](=O)[O-])F)/C=C/c1ccc(cc1)Cl
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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 C16H11ClFN3O3S MW 379.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClFN3O3S/c17-11-4-1-10(2-5-11)3-8-15(22)20-16(25)19-12-6-7-13(18)14(9-12)21(23)24/h1-9H,(H2,19,20,22,25)/b8-3+InChIKey
DPWXMMXXZCIFAV-FPYGCLRLSA-NSynonyms
(2E)3(4CHLOROPHENYL)N((4FLUORO3NITROPHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
(E)3(4CHLOROPHENYL)N((4FLUORO3NITROPHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC(=C(C=C2)F)(N+)(=O)(O))Cl
InChI=1SC16H11ClFN3O3Sc17114110(2511)3815(22)2016(25)19126713(18)14(912)21(23)24h19H(H219202225)b83+
MFCD02923065
O=C(NC(=S)Nc1ccc(c(c1)(N+)(=O)(O))F)C=Cc1ccc(cc1)Cl
STK049787
ZINC000001181213
ZINC01181213
ZINC1181213
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