Vitas-M small molecule compound
2-{[1-(4-bromo-2-methylphenyl)-3-methoxy-3-oxopropyl]carbamoyl}benzoic acid
Catalog ID
STK046420
SMILES COC(=O)CC(c1ccc(cc1C)Br)NC(=O)c1ccccc1C(=O)O
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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 C19H18BrNO5 MW 420.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrNO5/c1-11-9-12(20)7-8-13(11)16(10-17(22)26-2)21-18(23)14-5-3-4-6-15(14)19(24)25/h3-9,16H,10H2,1-2H3,(H,21,23)(H,24,25)InChIKey
NQRZSTDRGCPYEI-UHFFFAOYSA-NSynonyms
2((1(4BROMO2METHYLPHENYL)3METHOXY3OXOPROPYL)CARBAMOYL)BENZOICACID
CC1=C(C=CC(=C1)Br)C(CC(=O)OC)NC(=O)C2=CC=CC=C2C(=O)O
COC(=O)CC(c1ccc(cc1C)Br)NC(=O)c1ccccc1C(=O)O
InChI=1SC19H18BrNO5c111912(20)7813(11)16(1017(22)262)2118(23)14534615(14)19(24)25h3916H10H212H3(H2123)(H2425)
MFCD08050893
STK046420
ZINC000013943077
ZINC000013943079
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