Vitas-M small molecule compound
(1R,5R)-3-[(2E)-3-(furan-2-yl)prop-2-enoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL524427
SMILES O=C(N1C[C@H]2C[C@H](C1)c1n(C2)c(=O)ccc1)/C=C/c1ccco1
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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 C18H18N2O3 MW 310.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O3/c21-17(7-6-15-3-2-8-23-15)19-10-13-9-14(12-19)16-4-1-5-18(22)20(16)11-13/h1-8,13-14H,9-12H2/b7-6+/t13-,14-/m1/s1InChIKey
TXQCXCNVHIUDLG-JLVOYYQZSA-NSynonyms
(1~(R)9~(R))11((~(E))3(furan2yl)prop2enoyl)711diazatricyclo(7310^(27))trideca24dien6one
(1R5R)3((2E)3(furan2yl)prop2enoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)3((E)3(furan2yl)acryloyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
5572144
InChI=1SC18H18N2O3c2117(76153282315)191013914(1219)1641518(22)20(16)1113h181314H912H2b76+t1314m1s1
MFCD01545123
O=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C=Cc1ccco1
ZINC000100741536
ZINC100741536
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