Vitas-M small molecule compound
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-4-nitrobenzamide
Catalog ID
STK864130
SMILES COc1ccc(cc1NC(=S)NC(=O)c1ccc(cc1)[N+](=O)[O-])c1nc2c(o1)cccc2
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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 C22H16N4O5S MW 448.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O5S/c1-30-18-11-8-14(21-23-16-4-2-3-5-19(16)31-21)12-17(18)24-22(32)25-20(27)13-6-9-15(10-7-13)26(28)29/h2-12H,1H3,(H2,24,25,27,32)InChIKey
RIUOYAHCZWZXBM-UHFFFAOYSA-NSynonyms
590393-42-3590393423
COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1NC(=S)NC(=O)c1ccc(cc1)(N+)(=O)(O))c1nc2c(o1)cccc2
InChI=1SC22H16N4O5Sc1301811814(212316423519(16)3121)1217(18)2422(32)2520(27)136915(10713)26(28)29h212H1H3(H224252732)
MFCD02802735
N((5(13benzoxazol2yl)2methoxyphenyl)carbamothioyl)4nitrobenzamide
N((5(benzo(d)oxazol2yl)2methoxyphenyl)carbamothioyl)4nitrobenzamide
ZINC000001865323
ZINC01865323
ZINC1865323
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