Vitas-M small molecule compound

3-{[(2Z)-6-hydroxy-2-(3-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
STL512056
SMILES COc1cccc(c1)/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/c1-34-20-5-2-4-17(11-20)12-25-27(33)21-8-9-24(31)22(28(21)35-25)16-29-13-18-10-19(15-29)23-6-3-7-26(32)30(23)14-18/h2-9,11-12,18-19,31H,10,13-16H2,1H3/b25-12-
InChIKey
OJLVXKDPZIMHCG-ROTLSHHCSA-N
Synonyms
1049113-85-0
(1R5S)3(((Z)6hydroxy2(3methoxybenzylidene)3oxo23dihydrobenzofuran7yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
1049113850
11(((2~(Z))6hydroxy2((3methoxyphenyl)methylidene)3oxo1benzofuran7yl)methyl)711diazatricyclo(7310^(27))trideca24dien6one
24280347
3(((2Z)6hydroxy2(3methoxybenzylidene)3oxo23dihydro1benzofuran7yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1cccc(c1)C=C1Oc2c(C1=O)ccc(c2CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)O
InChI=1SC28H26N2O5c1342052417(1120)122527(33)218924(31)22(28(21)3525)162913181019(1529)2363726(32)30(23)1418h291112181931H101316H21H3b2512
MFCD10041397
ZINC000011865349

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Available files

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