Vitas-M small molecule compound
2-chloro-N-{[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-5-nitrobenzamide
Catalog ID
STK864056
SMILES S=C(NC(=O)c1cc(ccc1Cl)[N+](=O)[O-])Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)C)C
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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 C23H17ClN4O4S MW 480.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN4O4S/c1-12-3-4-14(9-13(12)2)22-26-19-10-15(5-8-20(19)32-22)25-23(33)27-21(29)17-11-16(28(30)31)6-7-18(17)24/h3-11H,1-2H3,(H2,25,27,29,33)InChIKey
QWVLQEAHSICOSE-UHFFFAOYSA-NSynonyms
535979-53-42chloroN((2(34dimethylphenyl)13benzoxazol5yl)carbamothioyl)5nitrobenzamide
2chloroN((2(34dimethylphenyl)benzo(d)oxazol5yl)carbamothioyl)5nitrobenzamide
535979534
CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C
InChI=1SC23H17ClN4O4Sc1123414(913(12)2)2226191015(5820(19)3222)2523(33)2721(29)171116(28(30)31)6718(17)24h311H12H3(H225272933)
MFCD03573244
S=C(NC(=O)c1cc(ccc1Cl)(N+)(=O)(O))Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)C)C
ZINC000001865208
ZINC01865208
ZINC1865208
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