Vitas-M small molecule compound
3-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid
Catalog ID
STK667429
SMILES CCOc1cc(CCN2C(=O)C(C(=O)O)C3CC2(C)Oc2c3cccc2)ccc1OCC
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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 C25H29NO6 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6/c1-4-30-20-11-10-16(14-21(20)31-5-2)12-13-26-23(27)22(24(28)29)18-15-25(26,3)32-19-9-7-6-8-17(18)19/h6-11,14,18,22H,4-5,12-13,15H2,1-3H3,(H,28,29)InChIKey
PBDBDEWPQZIOMJ-UHFFFAOYSA-NSynonyms
3(2(34diethoxyphenyl)ethyl)2methyl4oxo3456tetrahydro2H26methano13benzoxazocine5carboxylicacid
CCOC1=C(C=C(C=C1)CCN2C(=O)C(C3CC2(OC4=CC=CC=C34)C)C(=O)O)OCC
InChI=1SC25H29NO6c143020111016(1421(20)3152)12132623(27)22(24(28)29)181525(263)3219976817(18)19h611141822H45121315H213H3(H2829)
MFCD07022763
ZINC000101345043
ZINC000101345046
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