Vitas-M small molecule compound
3-chloro-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide
Catalog ID
STK163915
SMILES CCOc1ccc(cc1Cl)C(=O)NC(=S)Nc1ccc(c(c1)[N+](=O)[O-])F
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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 C16H13ClFN3O4S MW 397.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClFN3O4S/c1-2-25-14-6-3-9(7-11(14)17)15(22)20-16(26)19-10-4-5-12(18)13(8-10)21(23)24/h3-8H,2H2,1H3,(H2,19,20,22,26)InChIKey
DASUHHGXBBNORJ-UHFFFAOYSA-NSynonyms
3CHLORO4ETHOXYN((4FLUORO3NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)(N+)(=O)(O))Cl
CCOc1ccc(cc1Cl)C(=O)NC(=S)Nc1ccc(c(c1)(N+)(=O)(O))F
InChI=1SC16H13ClFN3O4Sc122514639(711(14)17)15(22)2016(26)19104512(18)13(810)21(23)24h38H2H21H3(H219202226)
MFCD02820757
ZINC000001174773
ZINC01174773
ZINC1174773
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