Vitas-M small molecule compound
(1R,5S)-3-(((3S,3aR,8aR,9aR)-8a-methyl-5-methylene-2-oxododecahydronaphtho[2,3-b]furan-3-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
Catalog ID
STL528196
SMILES O=C1O[C@H]2[C@@H](C1CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)CC1[C@](C2)(C)CCCC1=C
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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 C26H34N2O3 MW 422.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O3/c1-16-5-4-8-26(2)11-23-19(10-21(16)26)20(25(30)31-23)15-27-12-17-9-18(14-27)22-6-3-7-24(29)28(22)13-17/h3,6-7,17-21,23H,1,4-5,8-15H2,2H3/t17-,18+,19+,20?,21?,23+,26+/m0/s1InChIKey
DEJVPOYJWFGKEG-AHFHVZLQSA-NSynonyms
(1R5S)3(((3S3aR8aR9aR)8amethyl5methylene2oxododecahydronaphtho(23b)furan3yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
InChI=1SC26H34N2O3c11654826(2)112319(1021(16)26)20(25(30)3123)15271217918(1427)2263724(29)28(22)1317h367172123H145815H22H3t1718+19+20?21?23+26+m0s1
O=C1O(C@H)2(C@@H)(C1CN1C(C@H)3C(C@H)(C1)c1n(C3)c(=O)ccc1)CC1(C@)(C2)(C)CCCC1=C
ZINC000100751731
ZINC000100751739
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