Vitas-M small molecule compound
4-{[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}benzoic acid
Catalog ID
STK921266
SMILES O=c1oc2cc(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 C25H20O5 MW 400.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20O5/c1-16-21-12-11-20(29-15-18-7-9-19(10-8-18)24(26)27)14-23(21)30-25(28)22(16)13-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3,(H,26,27)InChIKey
XYTMZIZVSLIKBW-UHFFFAOYSA-NSynonyms
376376-66-8376376668
4(((3benzyl4methyl2oxo2Hchromen7yl)oxy)methyl)benzoicacid
4((3BENZYL2KETO4METHYLCHROMEN7YL)OXYMETHYL)BENZOICACID
4((3BENZYL4METHYL2OXOCHROMEN7YL)OXYMETHYL)BENZOICACID
4((4METHYL2OXIDANYLIDENE3(PHENYLMETHYL)CHROMEN7YL)OXYMETHYL)BENZOICACID
4((4METHYL2OXO3(PHENYLMETHYL)1BENZOPYRAN7YL)OXYMETHYL)BENZOICACID
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4
InChI=1SC25H20O5c11621121120(2915187919(10818)24(26)27)1423(21)3025(28)22(16)13175324617h21214H1315H21H3(H2627)
MFCD02115179
ZINC000000622142
ZINC622142
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