Vitas-M small molecule compound
{9-[4-(benzyloxy)phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl}acetic acid
Catalog ID
STK079917
SMILES OC(=O)CN1C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(C)(C)CC2=O)c1ccc(cc1)OCc1ccccc1
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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 C32H35NO5 MW 513.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35NO5/c1-31(2)14-23-29(25(34)16-31)28(21-10-12-22(13-11-21)38-19-20-8-6-5-7-9-20)30-24(33(23)18-27(36)37)15-32(3,4)17-26(30)35/h5-13,28H,14-19H2,1-4H3,(H,36,37)InChIKey
FJSNYLOAXXRQDA-UHFFFAOYSA-NSynonyms
(9(4(benzyloxy)phenyl)3366tetramethyl18dioxo23456789octahydroacridin10(1H)yl)aceticacid
2(3366tetramethyl18dioxo9(4phenylmethoxyphenyl)2457910hexahydroacridin10ium10yl)acetate
CC1(CC2=C(C(C3=C((NH+)2CC(=O)(O))CC(CC3=O)(C)C)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)C1)C
InChI=1SC32H35NO5c131(2)142329(25(34)1631)28(21101222(131121)3819208657920)3024(33(23)1827(36)37)1532(34)1726(30)35h51328H1419H214H3(H3637)
MFCD03082257
OC(=O)CN1C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(C)(C)CC2=O)c1ccc(cc1)OCc1ccccc1
STK079917
ZINC000019890680
ZINC19890680
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