Vitas-M small molecule compound
N-{[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide
Catalog ID
STK163814
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1cc(ccc1C)c1nc2c(o1)ccc(c2)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 C23H17ClN4O4S MW 480.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN4O4S/c1-12-6-7-14(22-25-18-11-15(24)8-9-20(18)32-22)10-17(12)26-23(33)27-21(29)16-4-3-5-19(13(16)2)28(30)31/h3-11H,1-2H3,(H2,26,27,29,33)InChIKey
JWFXKMPRQVUWFP-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=C(C(=CC=C4)(N+)(=O)(O))C
InChI=1SC23H17ClN4O4Sc1126714(2225181115(24)8920(18)3222)1017(12)2623(33)2721(29)1643519(13(16)2)28(30)31h311H12H3(H226272933)
MFCD03138162
N((5(5CHLORO13BENZOXAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)2METHYL3NITROBENZAMIDE
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1cc(ccc1C)c1nc2c(o1)ccc(c2)Cl
ZINC000002852095
ZINC02852095
ZINC2852095
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