Vitas-M small molecule compound
2-[(3,4-dimethylbenzyl)amino]-2-oxoethyl 5-bromofuran-2-carboxylate
Catalog ID
STL099717
SMILES O=C(NCc1ccc(c(c1)C)C)COC(=O)c1ccc(o1)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 C16H16BrNO4 MW 366.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrNO4/c1-10-3-4-12(7-11(10)2)8-18-15(19)9-21-16(20)13-5-6-14(17)22-13/h3-7H,8-9H2,1-2H3,(H,18,19)InChIKey
ZPAKPTZIOZZOEX-UHFFFAOYSA-NSynonyms
(2((34dimethylphenyl)methylamino)2oxoethyl)5bromofuran2carboxylate
2((34dimethylbenzyl)amino)2oxoethyl5bromofuran2carboxylate
CC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC=C(O2)Br)C
InChI=1SC16H16BrNO4c1103412(711(10)2)81815(19)92116(20)135614(17)2213h37H89H212H3(H1819)
MFCD18790374
ZINC000067197589
ZINC67197589
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