Vitas-M small molecule compound
2-[(4-bromophenyl)amino]-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Catalog ID
STL187783
SMILES O=C(Nc1ccc(cc1)Br)COC(=O)C1COc2c(O1)cccc2
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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 C17H14BrNO5 MW 392.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrNO5/c18-11-5-7-12(8-6-11)19-16(20)10-23-17(21)15-9-22-13-3-1-2-4-14(13)24-15/h1-8,15H,9-10H2,(H,19,20)InChIKey
AIZFAUPUFAQHQV-UHFFFAOYSA-NSynonyms
(2(4BROMOANILINO)2OXOETHYL)23DIHYDRO14BENZODIOXINE3CARBOXYLATE
2((4bromophenyl)amino)2oxoethyl23dihydro14benzodioxine2carboxylate
C1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC=C(C=C3)Br
InChI=1SC17H14BrNO5c18115712(8611)1916(20)102317(21)1592213312414(13)2415h1815H910H2(H1920)
MFCD04654670
ZINC000006055672
ZINC000006055677
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