Vitas-M small molecule compound
(1R,5S)-3-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL526881
SMILES COc1ccc(cc1)/C=C/C(=O)N1C[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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c1-26-18-8-5-15(6-9-18)7-10-20(24)22-12-16-11-17(14-22)19-3-2-4-21(25)23(19)13-16/h2-10,16-17H,11-14H2,1H3/b10-7+/t16-,17+/m0/s1InChIKey
BPPZVFHFWMQWSG-NGXUEJOTSA-NSynonyms
(1~(R)9~(S))11((~(E))3(4methoxyphenyl)prop2enoyl)711diazatricyclo(7310^(27))trideca24dien6one
(1R5S)3((2E)3(4methoxyphenyl)prop2enoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)3((E)3(4methoxyphenyl)acryloyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
7079173
COc1ccc(cc1)C=CC(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC21H22N2O3c126188515(6918)71020(24)2212161117(1422)1932421(25)23(19)1316h2101617H1114H21H3b107+t1617+m0s1
MFCD01845824
ZINC000004029424
ZINC4029424
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