Vitas-M small molecule compound
methyl 4-[(Z)-{6-hydroxy-3-oxo-7-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-1-benzofuran-2(3H)-ylidene}methyl]benzoate
Catalog ID
STL477323
SMILES COC(=O)c1ccc(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 C29H26N2O6 MW 498.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O6/c1-36-29(35)19-7-5-17(6-8-19)12-25-27(34)21-9-10-24(32)22(28(21)37-25)16-30-13-18-11-20(15-30)23-3-2-4-26(33)31(23)14-18/h2-10,12,18,20,32H,11,13-16H2,1H3/b25-12-InChIKey
IPJONUOGMNCCPI-ROTLSHHCSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CC5CC(C4)C6=CC=CC(=O)N6C5
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)O
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2CN1CC2CC(C1)c1n(C2)c(=O)ccc1)O
InChI=1SC29H26N2O6c13629(35)197517(6819)122527(34)2191024(32)22(28(21)3725)163013181120(1530)2332426(33)31(23)1418h21012182032H111316H21H3b2512
methyl4((Z)(6hydroxy3oxo7(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)benzofuran2(3H)ylidene)methyl)benzoate
methyl4((Z)(6hydroxy3oxo7((8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)1benzofuran2(3H)ylidene)methyl)benzoate
MFCD31750860
ZINC000020763243
Check stock
See real-time availability and sample size for STL477323 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.