Vitas-M small molecule compound
3-{[7-hydroxy-3-(4-methoxyphenyl)-2-oxo-2H-chromen-8-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL477307
SMILES COc1ccc(cc1)c1cc2ccc(c(c2oc1=O)CN1CC2CC(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/c1-34-21-8-5-18(6-9-21)22-12-19-7-10-25(31)23(27(19)35-28(22)33)16-29-13-17-11-20(15-29)24-3-2-4-26(32)30(24)14-17/h2-10,12,17,20,31H,11,13-16H2,1H3InChIKey
NWROFGNHEYATEJ-UHFFFAOYSA-NSynonyms
1040698-23-4(1R5S)3((7hydroxy3(4methoxyphenyl)2oxo2Hchromen8yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
1040698234
3((7hydroxy3(4methoxyphenyl)2oxo2Hchromen8yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COC1=CC=C(C=C1)C2=CC3=C(C(=C(C=C3)O)CN4CC5CC(C4)C6=CC=CC(=O)N6C5)OC2=O
COc1ccc(cc1)c1cc2ccc(c(c2oc1=O)CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)O
InChI=1SC28H26N2O5c134218518(6921)22121971025(31)23(27(19)3528(22)33)162913171120(1529)2432426(32)30(24)1417h21012172031H111316H21H3
MFCD10041405
ZINC000011865356
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