Vitas-M small molecule compound
4-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoic acid
Catalog ID
STL459611
SMILES O=c1oc2c(C)c(OCc3ccc(cc3)C(=O)O)ccc2c(c1Cc1ccccc1)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 C26H22O5 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22O5/c1-16-21-12-13-23(30-15-19-8-10-20(11-9-19)25(27)28)17(2)24(21)31-26(29)22(16)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,27,28)InChIKey
WMCRRCLOPCJDAM-UHFFFAOYSA-NSynonyms
376379-53-2376379532
4(((3benzyl48dimethyl2oxo2Hchromen7yl)oxy)methyl)benzoicacid
4((3BENZYL48DIMETHYL2OXOCHROMEN7YL)OXYMETHYL)BENZOICACID
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4
InChI=1SC26H22O5c11621121323(30151981020(11919)25(27)28)17(2)24(21)3126(29)22(16)14186435718h313H1415H212H3(H2728)
MFCD02115578
ZINC000002118469
ZINC2118469
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