Vitas-M small molecule compound
3-bromo-N-{[4-(4-chlorophenoxy)phenyl]carbamothioyl}-4-methoxybenzamide
Catalog ID
STK070314
SMILES COc1ccc(cc1Br)C(=O)NC(=S)Nc1ccc(cc1)Oc1ccc(cc1)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 C21H16BrClN2O3S MW 491.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrClN2O3S/c1-27-19-11-2-13(12-18(19)22)20(26)25-21(29)24-15-5-9-17(10-6-15)28-16-7-3-14(23)4-8-16/h2-12H,1H3,(H2,24,25,26,29)InChIKey
IPQAWECTNUXDRS-UHFFFAOYSA-NSynonyms
3BROMON((4(4CHLOROPHENOXY)PHENYL)CARBAMOTHIOYL)4METHOXYBENZAMIDE
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)Br
COc1ccc(cc1Br)C(=O)NC(=S)Nc1ccc(cc1)Oc1ccc(cc1)Cl
InChI=1SC21H16BrClN2O3Sc1271911213(1218(19)22)20(26)2521(29)24155917(10615)28167314(23)4816h212H1H3(H224252629)
MFCD02625155
STK070314
ZINC000002983114
ZINC02983114
ZINC2983114
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