Vitas-M small molecule compound
4-ethoxy-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
Catalog ID
STK002955
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cc(Cl)c(cc1Cl)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 C16H12Cl3N3O4S MW 448.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12Cl3N3O4S/c1-2-26-14-4-3-8(5-13(14)22(24)25)15(23)21-16(27)20-12-7-10(18)9(17)6-11(12)19/h3-7H,2H2,1H3,(H2,20,21,23,27)InChIKey
KDBYZKLPDNUKCR-UHFFFAOYSA-NSynonyms
4ETHOXY3NITRON((245TRICHLOROPHENYL)CARBAMOTHIOYL)BENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc(Cl)c(cc1Cl)Cl
InChI=1SC16H12Cl3N3O4Sc122614438(513(14)22(24)25)15(23)2116(27)2012710(18)9(17)611(12)19h37H2H21H3(H220212327)
MFCD02626923
STK002955
ZINC000001174013
ZINC01174013
ZINC1174013
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