Vitas-M small molecule compound
(1S,5R)-3-(2-{[3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}ethyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STK615225
SMILES COc1ccc(cc1)c1cc2ccc(cc2oc1=O)OCCN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C29H28N2O5 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5/c1-34-23-8-5-20(6-9-23)25-14-21-7-10-24(15-27(21)36-29(25)33)35-12-11-30-16-19-13-22(18-30)26-3-2-4-28(32)31(26)17-19/h2-10,14-15,19,22H,11-13,16-18H2,1H3/t19-,22+/m0/s1InChIKey
UBUOVOKOPCPNGE-SIKLNZKXSA-NSynonyms
(1R5S)3(2((3(4methoxyphenyl)2oxo2Hchromen7yl)oxy)ethyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(2((3(4methoxyphenyl)2oxo2Hchromen7yl)oxy)ethyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OCCN4CC5CC(C4)C6=CC=CC(=O)N6C5)OC2=O
COc1ccc(cc1)c1cc2ccc(cc2oc1=O)OCCN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC29H28N2O5c134238520(6923)25142171024(1527(21)3629(25)33)3512113016191322(1830)2632428(32)31(26)1719h21014151922H11131618H21H3t1922+m1s1
MFCD18246319
ZINC000009409914
ZINC9409914
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