Vitas-M small molecule compound
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid
Catalog ID
STK667426
SMILES COc1cc(CCN2C(=O)C(C(=O)O)C3CC2(C)Oc2c3cccc2)ccc1OC
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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 C23H25NO6 MW 411.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO6/c1-23-13-16(15-6-4-5-7-17(15)30-23)20(22(26)27)21(25)24(23)11-10-14-8-9-18(28-2)19(12-14)29-3/h4-9,12,16,20H,10-11,13H2,1-3H3,(H,26,27)InChIKey
HROGDGHGXBIPPD-UHFFFAOYSA-NSynonyms
3(2(34dimethoxyphenyl)ethyl)2methyl4oxo3456tetrahydro2H26methano13benzoxazocine5carboxylicacid
CC12CC(C(C(=O)N1CCC3=CC(=C(C=C3)OC)OC)C(=O)O)C4=CC=CC=C4O2
InChI=1SC23H25NO6c1231316(15645717(15)3023)20(22(26)27)21(25)24(23)1110148918(282)19(1214)293h49121620H101113H213H3(H2627)
MFCD07022760
ZINC000100213390
ZINC000101345038
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