Vitas-M small molecule compound
5-bromo-N-{[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-methoxybenzamide
Catalog ID
STK073880
SMILES COc1ccc(cc1C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1cc(F)c(cc1Cl)F)Br
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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 C22H13BrClF2N3O3S MW 552.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13BrClF2N3O3S/c1-31-18-4-2-10(23)6-13(18)20(30)29-22(33)27-11-3-5-19-17(7-11)28-21(32-19)12-8-15(25)16(26)9-14(12)24/h2-9H,1H3,(H2,27,29,30,33)InChIKey
BEANNLHGWLPWDM-UHFFFAOYSA-NSynonyms
5BROMON((2(2CHLORO45DIFLUOROPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)2METHOXYBENZAMIDE
COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4Cl)F)F
COc1ccc(cc1C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1cc(F)c(cc1Cl)F)Br
InChI=1SC22H13BrClF2N3O3Sc131184210(23)613(18)20(30)2922(33)2711351917(711)2821(3219)12815(25)16(26)914(12)24h29H1H3(H227293033)
MFCD03559329
N(5BROMO2METHOXYBENZOYL)N(2(2CHLORO45DIFLUOROPHENYL)13BENZOXAZOL5YL)THIOUREA
STK073880
ZINC000002145611
ZINC02145611
ZINC2145611
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