Vitas-M small molecule compound
(2E)-3-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}prop-2-enoic acid
Catalog ID
STL417472
SMILES OC(=O)/C=C/c1cc(Br)ccc1OCc1ccc(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 C16H12BrClO3 MW 367.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrClO3/c17-13-4-7-15(12(9-13)3-8-16(19)20)21-10-11-1-5-14(18)6-2-11/h1-9H,10H2,(H,19,20)/b8-3+InChIKey
DMRBUJBAGWQIJR-FPYGCLRLSA-NSynonyms
(2E)3(5bromo2((4chlorobenzyl)oxy)phenyl)prop2enoicacid
(E)3(5BROMO2((4CHLOROPHENYL)METHOXY)PHENYL)PROP2ENOICACID
C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C=CC(=O)O)Cl
InChI=1SC16H12BrClO3c17134715(12(913)3816(19)20)2110111514(18)6211h19H10H2(H1920)b83+
MFCD06669260
OC(=O)C=Cc1cc(Br)ccc1OCc1ccc(cc1)Cl
ZINC000005634204
ZINC5634204
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