Vitas-M small molecule compound
N-{[2-(difluoromethoxy)phenyl]carbamothioyl}-4-methoxy-3-nitrobenzamide
Catalog ID
STK345643
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccccc1OC(F)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 C16H13F2N3O5S MW 397.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13F2N3O5S/c1-25-13-7-6-9(8-11(13)21(23)24)14(22)20-16(27)19-10-4-2-3-5-12(10)26-15(17)18/h2-8,15H,1H3,(H2,19,20,22,27)InChIKey
CXTKIJOVHXGXOW-UHFFFAOYSA-NSynonyms
1(2DIFLUOROMETHOXYPHENYL)3(4METHOXY3NITROBENZOYL)THIOUREA
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OC(F)F)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccccc1OC(F)F
InChI=1SC16H13F2N3O5Sc12513769(811(13)21(23)24)14(22)2016(27)1910423512(10)2615(17)18h2815H1H3(H219202227)
MFCD04081156
N((2(difluoromethoxy)phenyl)carbamothioyl)4methoxy3nitrobenzamide
ZINC000001113948
ZINC01113948
ZINC1113948
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