Vitas-M small molecule compound
3-bromo-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide
Catalog ID
STK163632
SMILES S=C(NC(=O)c1cccc(c1)Br)Nc1ccc(cc1)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 C21H13BrClN3O2S MW 486.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13BrClN3O2S/c22-14-3-1-2-13(10-14)19(27)26-21(29)24-16-7-4-12(5-8-16)20-25-17-11-15(23)6-9-18(17)28-20/h1-11H,(H2,24,26,27,29)InChIKey
CTWJPKXRTPJVHQ-UHFFFAOYSA-NSynonyms
3BROMON((4(5CHLORO13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl
InChI=1SC21H13BrClN3O2Sc221431213(1014)19(27)2621(29)24167412(5816)2025171115(23)6918(17)2820h111H(H224262729)
MFCD03135116
ZINC000002980940
ZINC02980940
ZINC2980940
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