Vitas-M small molecule compound
N-[(2,5-dichlorophenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide
Catalog ID
STK011400
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cc(Cl)ccc1Cl
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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(7-13(14)21(23)24)15(22)20-16(26)19-12-8-10(17)4-5-11(12)18/h3-8H,2H2,1H3,(H2,19,20,22,26)InChIKey
KYFIHIKEBYPREC-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)Cl)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc(Cl)ccc1Cl
InChI=1SC16H13Cl2N3O4Sc122514639(713(14)21(23)24)15(22)2016(26)1912810(17)4511(12)18h38H2H21H3(H219202226)
MFCD02626955
N((25DICHLOROPHENYL)CARBAMOTHIOYL)4ETHOXY3NITROBENZAMIDE
STK011400
ZINC000001174370
ZINC01174370
ZINC1174370
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