Vitas-M small molecule compound
N-{[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-4-nitrobenzamide
Catalog ID
STL378521
SMILES COc1ccc(cc1Cl)c1nc2c(o1)ccc(c2)NC(=S)NC(=O)c1ccc(cc1)[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 C22H15ClN4O5S MW 482.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN4O5S/c1-31-18-8-4-13(10-16(18)23)21-25-17-11-14(5-9-19(17)32-21)24-22(33)26-20(28)12-2-6-15(7-3-12)27(29)30/h2-11H,1H3,(H2,24,26,28,33)InChIKey
TZPOTXRRYYNEJH-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O))Cl
COc1ccc(cc1Cl)c1nc2c(o1)ccc(c2)NC(=S)NC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H15ClN4O5Sc131188413(1016(18)23)2125171114(5919(17)3221)2422(33)2620(28)122615(7312)27(29)30h211H1H3(H224262833)
MFCD02802702
N((2(3chloro4methoxyphenyl)13benzoxazol5yl)carbamothioyl)4nitrobenzamide
ZINC000003770753
ZINC3770753
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