Vitas-M small molecule compound

(1S,5R)-3-{[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL534564
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1

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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 C30H28N2O5 MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O5/c1-19-24-11-10-23(14-27(24)37-30(35)25(19)13-20-6-3-2-4-7-20)36-18-29(34)31-15-21-12-22(17-31)26-8-5-9-28(33)32(26)16-21/h2-11,14,21-22H,12-13,15-18H2,1H3/t21-,22+/m0/s1
InChIKey
DKHKBUNQNADSKO-FCHUYYIVSA-N
Synonyms

(1R5S)3(2((3benzyl4methyl2oxo2Hchromen7yl)oxy)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(((3benzyl4methyl2oxo2Hchromen7yl)oxy)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC30H28N2O5c11924111023(1427(24)3730(35)25(19)13206324720)361829(34)3115211222(1731)2685928(33)32(26)1621h211142122H12131518H21H3t2122+m0s1
MFCD08283562
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1
ZINC000008877593

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Available files

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