Vitas-M small molecule compound
3-{7-[(3-bromobenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoic acid
Catalog ID
STL463276
SMILES OC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1cccc(c1)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 C21H19BrO5 MW 431.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrO5/c1-12-16-6-8-18(26-11-14-4-3-5-15(22)10-14)13(2)20(16)27-21(25)17(12)7-9-19(23)24/h3-6,8,10H,7,9,11H2,1-2H3,(H,23,24)InChIKey
GSMOQRRLFJNESJ-UHFFFAOYSA-NSynonyms
858750-01-33(7((3bromobenzyl)oxy)48dimethyl2oxo2Hchromen3yl)propanoicacid
3(7((3BROMOPHENYL)METHOXY)48DIMETHYL2OXOCHROMEN3YL)PROPANOICACID
858750013
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC(=CC=C3)Br)CCC(=O)O
InChI=1SC21H19BrO5c112166818(26111443515(22)1014)13(2)20(16)2721(25)17(12)7919(23)24h36810H7911H212H3(H2324)
MFCD03851055
ZINC000002148107
ZINC2148107
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