Vitas-M small molecule compound
2-[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]propanoic acid
Catalog ID
STK667108
SMILES COc1cc(ccc1OC(C(=O)O)C)C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3
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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 C29H29NO5 MW 471.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO5/c1-16(28(32)33)35-23-12-10-18(13-24(23)34-4)27-26-20(14-29(2,3)15-22(26)31)25-19-8-6-5-7-17(19)9-11-21(25)30-27/h5-13,16,27,30H,14-15H2,1-4H3,(H,32,33)InChIKey
MVQJAKADNXIHCW-UHFFFAOYSA-NSynonyms
2(4(22dimethyl4oxo123456hexahydrobenzo(a)phenanthridin5yl)2methoxyphenoxy)propanoicacid
2(4(22dimethyl4oxo1356tetrahydrobenzo(a)phenanthridin5yl)2methoxyphenoxy)propanoicacid
CC(C(=O)O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)OC
InChI=1SC29H29NO5c116(28(32)33)3523121018(1324(23)344)272620(1429(23)1522(26)31)2519865717(19)91121(25)3027h513162730H1415H214H3(H3233)
MFCD01870999
ZINC000008854719
ZINC000008855076
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