Vitas-M small molecule compound

3-{[(2Z)-6-hydroxy-2-(4-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL512047
SMILES COc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2CN1CC2CC(C1)c1n(C2)c(=O)ccc1)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 C28H26N2O5 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O5/c1-34-20-7-5-17(6-8-20)12-25-27(33)21-9-10-24(31)22(28(21)35-25)16-29-13-18-11-19(15-29)23-3-2-4-26(32)30(23)14-18/h2-10,12,18-19,31H,11,13-16H2,1H3/b25-12-
InChIKey
YBRLGEGOMYIAEI-ROTLSHHCSA-N
Synonyms
1049123-16-1
(1R5S)3(((Z)6hydroxy2(4methoxybenzylidene)3oxo23dihydrobenzofuran7yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
1049123161
11(((2~(Z))6hydroxy2((4methoxyphenyl)methylidene)3oxo1benzofuran7yl)methyl)711diazatricyclo(7310^(27))trideca24dien6one
3(((2Z)6hydroxy2(4methoxybenzylidene)3oxo23dihydro1benzofuran7yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
43935883
COc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)O
InChI=1SC28H26N2O5c134207517(6820)122527(33)2191024(31)22(28(21)3525)162913181119(1529)2332426(32)30(23)1418h21012181931H111316H21H3b2512
MFCD11999719
ZINC000020763198

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Available files

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