Vitas-M small molecule compound
2-chloro-5-[({[5-(3-nitrophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid
Catalog ID
STK131301
SMILES S=C(NC(=O)c1ccc(o1)c1cccc(c1)[N+](=O)[O-])Nc1ccc(c(c1)C(=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 C19H12ClN3O6S MW 445.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12ClN3O6S/c20-14-5-4-11(9-13(14)18(25)26)21-19(30)22-17(24)16-7-6-15(29-16)10-2-1-3-12(8-10)23(27)28/h1-9H,(H,25,26)(H2,21,22,24,30)InChIKey
JOOZSPUUJRJULN-UHFFFAOYSA-NSynonyms
531517-48-32CHLORO5((((5(3NITROPHENYL)FURAN2YL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2CHLORO5((5(3NITROPHENYL)FURAN2CARBONYL)CARBAMOTHIOYLAMINO)BENZOICACID
531517483
BENZOICACID2CHLORO5(((((5(3NITROPHENYL)2FURANYL)CARBONYL)AMINO)THIOXOMETHYL)AMINO)
C1=CC(=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O
InChI=1SC19H12ClN3O6Sc20145411(913(14)18(25)26)2119(30)2217(24)167615(2916)1021312(810)23(27)28h19H(H2526)(H221222430)
MFCD03565653
S=C(NC(=O)c1ccc(o1)c1cccc(c1)(N+)(=O)(O))Nc1ccc(c(c1)C(=O)O)Cl
ZINC000009850199
ZINC9850199
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