Vitas-M small molecule compound
3-bromo-N-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide
Catalog ID
STK026090
SMILES S=C(NC(=O)c1cccc(c1)Br)Nc1cccc(c1C)c1nc2c(o1)c(C)cc(c2)C
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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 C24H20BrN3O2S MW 494.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20BrN3O2S/c1-13-10-14(2)21-20(11-13)26-23(30-21)18-8-5-9-19(15(18)3)27-24(31)28-22(29)16-6-4-7-17(25)12-16/h4-12H,1-3H3,(H2,27,28,29,31)InChIKey
CSBCUVKJBQIEKO-UHFFFAOYSA-NSynonyms
3BROMON((3(57DIMETHYL13BENZOXAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br)C)C
InChI=1SC24H20BrN3O2Sc1131014(2)2120(1113)2623(3021)1885919(15(18)3)2724(31)2822(29)1664717(25)1216h412H13H3(H227282931)
MFCD02917210
S=C(NC(=O)c1cccc(c1)Br)Nc1cccc(c1C)c1nc2c(o1)c(C)cc(c2)C
STK026090
ZINC000002978430
ZINC02978430
ZINC2978430
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