Vitas-M small molecule compound
4-({4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STK168154
SMILES COc1cc(ccc1OCc1ccc(cc1)C(=O)O)/C=C/1\C(=O)c2c(C1=O)cccc2
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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 C25H18O6 MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18O6/c1-30-22-13-16(12-20-23(26)18-4-2-3-5-19(18)24(20)27)8-11-21(22)31-14-15-6-9-17(10-7-15)25(28)29/h2-13H,14H2,1H3,(H,28,29)InChIKey
KEYHDCISXSVHEP-UHFFFAOYSA-NSynonyms
348575-44-0348575440
4((4((13DIOXO13DIHYDRO2HINDEN2YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((13dioxo1Hinden2(3H)ylidene)methyl)2methoxyphenoxy)methyl)benzoicacid
4((4((13DIOXOINDEN2YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
COC1=C(C=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)OCC4=CC=C(C=C4)C(=O)O
COc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C1C(=O)c2c(C1=O)cccc2
InChI=1SC25H18O6c130221316(122023(26)18423519(18)24(20)27)81121(22)3114156917(10715)25(28)29h213H14H21H3(H2829)
MFCD02628883
ZINC000002438624
ZINC2438624
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