Vitas-M small molecule compound
N-{[4,6-dibromo-2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-methyl-4-nitrobenzamide
Catalog ID
STK236991
SMILES S=C(Nc1c(Br)cc2c(c1Br)nc(o2)c1ccccc1Cl)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-]
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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 C22H13Br2ClN4O4S MW 624.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13Br2ClN4O4S/c1-10-8-11(6-7-15(10)29(31)32)20(30)28-22(34)27-18-13(23)9-16-19(17(18)24)26-21(33-16)12-4-2-3-5-14(12)25/h2-9H,1H3,(H2,27,28,30,34)InChIKey
KZSNUJNQKDACLR-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=C(C=C3C(=C2Br)N=C(O3)C4=CC=CC=C4Cl)Br)(N+)(=O)(O)
InChI=1SC22H13Br2ClN4O4Sc110811(6715(10)29(31)32)20(30)2822(34)271813(23)91619(17(18)24)2621(3316)12423514(12)25h29H1H3(H227283034)
MFCD04081849
N((46dibromo2(2chlorophenyl)13benzoxazol5yl)carbamothioyl)3methyl4nitrobenzamide
S=C(Nc1c(Br)cc2c(c1Br)nc(o2)c1ccccc1Cl)NC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
ZINC000150425493
ZINC150425493
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