Vitas-M small molecule compound
3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide
Catalog ID
STK163913
SMILES CCOc1ccc(cc1Cl)C(=O)NC(=S)Nc1ccc(c(c1)[N+](=O)[O-])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 C16H13Cl2N3O4S MW 414.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl2N3O4S/c1-2-25-14-6-3-9(7-12(14)18)15(22)20-16(26)19-10-4-5-11(17)13(8-10)21(23)24/h3-8H,2H2,1H3,(H2,19,20,22,26)InChIKey
DWOLTJFXZQAPQH-UHFFFAOYSA-NSynonyms
3CHLORON((4CHLORO3NITROPHENYL)CARBAMOTHIOYL)4ETHOXYBENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)(N+)(=O)(O))Cl
CCOc1ccc(cc1Cl)C(=O)NC(=S)Nc1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC16H13Cl2N3O4Sc122514639(712(14)18)15(22)2016(26)19104511(17)13(810)21(23)24h38H2H21H3(H219202226)
MFCD02820756
ZINC000001171276
ZINC01171276
ZINC1171276
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