Vitas-M small molecule compound
2-{[(2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoic acid
Catalog ID
STK992091
SMILES OC(=O)C(Oc1ccc2c(c1)O/C(=C\c1cccc(c1)Br)/C2=O)C
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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 C18H13BrO5 MW 389.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13BrO5/c1-10(18(21)22)23-13-5-6-14-15(9-13)24-16(17(14)20)8-11-3-2-4-12(19)7-11/h2-10H,1H3,(H,21,22)/b16-8-InChIKey
SDDQGOVAIPDBAV-PXNMLYILSA-NSynonyms
890632-87-8(Z)2((2(3bromobenzylidene)3oxo23dihydrobenzofuran6yl)oxy)propanoicacid
2(((2Z)2((3bromophenyl)methylidene)3oxo1benzofuran6yl)oxy)propanoicacid
2(((2Z)2(3bromobenzylidene)3oxo23dihydro1benzofuran6yl)oxy)propanoicacid
2(2((3BROMOPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)PROPANOICACID
890632878
CC(C(=O)O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC=C3)Br)O2
InChI=1SC18H13BrO5c110(18(21)22)2313561415(913)2416(17(14)20)81132412(19)711h210H1H3(H2122)b168
MFCD07808372
OC(=O)C(Oc1ccc2c(c1)OC(=Cc1cccc(c1)Br)C2=O)C
ZINC000009419915
ZINC000009419916
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