Vitas-M small molecule compound
2-bromo-N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide
Catalog ID
STK093655
SMILES S=C(NC(=O)c1ccccc1Br)Nc1cccc(c1)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/c22-16-7-2-1-6-15(16)19(27)26-21(29)24-14-5-3-4-12(10-14)20-25-17-11-13(23)8-9-18(17)28-20/h1-11H,(H2,24,26,27,29)InChIKey
UCHLWKLFLVOMGX-UHFFFAOYSA-NSynonyms
2BROMON((3(5CHLORO13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)Br
InChI=1SC21H13BrClN3O2Sc2216721615(16)19(27)2621(29)241453412(1014)2025171113(23)8918(17)2820h111H(H224262729)
MFCD02630735
S=C(NC(=O)c1ccccc1Br)Nc1cccc(c1)c1nc2c(o1)ccc(c2)Cl
STK093655
ZINC000002978751
ZINC02978751
ZINC2978751
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