Vitas-M small molecule compound
{3,3,6,6-tetramethyl-1,8-dioxo-9-[4-(prop-2-yn-1-yloxy)phenyl]-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl}acetic acid
Catalog ID
STK037313
SMILES C#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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-6-11-34-18-9-7-17(8-10-18)24-25-19(12-27(2,3)14-21(25)30)29(16-23(32)33)20-13-28(4,5)15-22(31)26(20)24/h1,7-10,24H,11-16H2,2-5H3,(H,32,33)InChIKey
FBJIAXHBIRLJDM-UHFFFAOYSA-NSynonyms
(3366tetramethyl18dioxo9(4(prop2yn1yloxy)phenyl)23456789octahydroacridin10(1H)yl)aceticacid
2(3366tetramethyl18dioxo9(4prop2ynoxyphenyl)2457910hexahydroacridin10ium10yl)acetate
C#CCOc1ccc(cc1)C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(=O)CC(C2)(C)C)CC(=O)O
CC1(CC2=C(C(C3=C((NH+)2CC(=O)(O))CC(CC3=O)(C)C)C4=CC=C(C=C4)OCC#C)C(=O)C1)C
InChI=1SC28H31NO5c161134189717(81018)242519(1227(23)1421(25)30)29(1623(32)33)201328(45)1522(31)26(20)24h171024H1116H225H3(H3233)
MFCD03044634
STK037313
ZINC000019913887
ZINC19913887
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