Vitas-M small molecule compound
[9-(4-ethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]acetic acid
Catalog ID
STK056963
SMILES CCOc1ccc(cc1)C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(=O)CC(C2)(C)C)CC(=O)O
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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 C27H33NO5 MW 451.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO5/c1-6-33-17-9-7-16(8-10-17)23-24-18(11-26(2,3)13-20(24)29)28(15-22(31)32)19-12-27(4,5)14-21(30)25(19)23/h7-10,23H,6,11-15H2,1-5H3,(H,31,32)InChIKey
HHRRGWUFVBJXLB-UHFFFAOYSA-NSynonyms
(9(4ethoxyphenyl)3366tetramethyl18dioxo23456789octahydroacridin10(1H)yl)aceticacid
2(9(4ethoxyphenyl)3366tetramethyl18dioxo2457910hexahydroacridin10ium10yl)acetate
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)(NH+)(C4=C2C(=O)CC(C4)(C)C)CC(=O)(O)
CCOc1ccc(cc1)C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(=O)CC(C2)(C)C)CC(=O)O
InChI=1SC27H33NO5c1633179716(81017)232418(1126(23)1320(24)29)28(1522(31)32)191227(45)1421(30)25(19)23h71023H61115H215H3(H3132)
MFCD02736496
STK056963
ZINC000019890692
ZINC19890692
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