Vitas-M small molecule compound
5-bromo-2-chloro-N-{[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK098458
SMILES S=C(NC(=O)c1cc(Br)ccc1Cl)Nc1ccc2c(c1)nc(o2)c1ccccc1Cl
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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 C21H12BrCl2N3O2S MW 521.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12BrCl2N3O2S/c22-11-5-7-16(24)14(9-11)19(28)27-21(30)25-12-6-8-18-17(10-12)26-20(29-18)13-3-1-2-4-15(13)23/h1-10H,(H2,25,27,28,30)InChIKey
OTNKFVWRGHQLPF-UHFFFAOYSA-NSynonyms
5BROMO2CHLORON((2(2CHLOROPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl)Cl
InChI=1SC21H12BrCl2N3O2Sc22115716(24)14(911)19(28)2721(30)2512681817(1012)2620(2918)13312415(13)23h110H(H225272830)
MFCD02630780
S=C(NC(=O)c1cc(Br)ccc1Cl)Nc1ccc2c(c1)nc(o2)c1ccccc1Cl
STK098458
ZINC000100240827
ZINC100240827
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