Vitas-M small molecule compound
3-({4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STK074970
SMILES COc1cc(ccc1OCc1cccc(c1)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/c1-30-22-13-15(12-20-23(26)18-7-2-3-8-19(18)24(20)27)9-10-21(22)31-14-16-5-4-6-17(11-16)25(28)29/h2-13H,14H2,1H3,(H,28,29)InChIKey
MPPKJCKSDWDURH-UHFFFAOYSA-NSynonyms
3((4((13DIOXO13DIHYDRO2HINDEN2YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
3((4((13DIOXOINDEN2YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
COC1=C(C=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)OCC4=CC=CC(=C4)C(=O)O
COc1cc(ccc1OCc1cccc(c1)C(=O)O)C=C1C(=O)c2c(C1=O)cccc2
InChI=1SC25H18O6c130221315(122023(26)18723819(18)24(20)27)91021(22)31141654617(1116)25(28)29h213H14H21H3(H2829)
MFCD02641036
STK074970
ZINC000001170273
ZINC1170273
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