Vitas-M small molecule compound
(2E)-3-{3,5-dibromo-4-[(2-chlorobenzyl)oxy]phenyl}prop-2-enoic acid
Catalog ID
STK025012
SMILES OC(=O)/C=C/c1cc(Br)c(c(c1)Br)OCc1ccccc1Cl
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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 C16H11Br2ClO3 MW 446.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11Br2ClO3/c17-12-7-10(5-6-15(20)21)8-13(18)16(12)22-9-11-3-1-2-4-14(11)19/h1-8H,9H2,(H,20,21)/b6-5+InChIKey
VFOSIEDBCQFKBC-AATRIKPKSA-NSynonyms
(2E)3(35DIBROMO4((2CHLOROBENZYL)OXY)PHENYL)PROP2ENOICACID
(2E)3(35DIBROMO4((2CHLOROPHENYL)METHOXY)PHENYL)PROP2ENOICACID
(E)3(35DIBROMO4((2CHLOROPHENYL)METHOXY)PHENYL)PROP2ENOICACID
C1=CC=C(C(=C1)COC2=C(C=C(C=C2Br)C=CC(=O)O)Br)Cl
InChI=1SC16H11Br2ClO3c1712710(5615(20)21)813(18)16(12)22911312414(11)19h18H9H2(H2021)b65+
MFCD01873779
OC(=O)C=Cc1cc(Br)c(c(c1)Br)OCc1ccccc1Cl
STK025012
ZINC000008842950
ZINC8842950
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