Vitas-M small molecule compound
2-chloro-N-{[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-4-nitrobenzamide
Catalog ID
STK006783
SMILES S=C(NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])Nc1ccc2c(c1)nc(o2)c1cc(F)c(cc1Cl)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 C21H10Cl2F2N4O4S MW 523.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H10Cl2F2N4O4S/c22-13-6-10(29(31)32)2-3-11(13)19(30)28-21(34)26-9-1-4-18-17(5-9)27-20(33-18)12-7-15(24)16(25)8-14(12)23/h1-8H,(H2,26,28,30,34)InChIKey
LXSAQWCXWNJRSP-UHFFFAOYSA-NSynonyms
2CHLORON((2(2CHLORO45DIFLUOROPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)4NITROBENZAMIDE
C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)N=C(O2)C4=CC(=C(C=C4Cl)F)F
InChI=1SC21H10Cl2F2N4O4Sc2213610(29(31)32)2311(13)19(30)2821(34)269141817(59)2720(3318)12715(24)16(25)814(12)23h18H(H226283034)
MFCD03560457
S=C(NC(=O)c1ccc(cc1Cl)(N+)(=O)(O))Nc1ccc2c(c1)nc(o2)c1cc(F)c(cc1Cl)F
STK006783
ZINC000100300492
ZINC100300492
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