Vitas-M small molecule compound
(3S)-3-((((3S,3aR,8aR,9aR)-8a-methyl-5-methylene-2-oxododecahydronaphtho[2,3-b]furan-3-yl)methyl)amino)azepan-2-one
Catalog ID
STL526144
SMILES O=C1O[C@H]2[C@@H](C1CN[C@H]1CCCCNC1=O)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 C21H32N2O3 MW 360.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32N2O3/c1-13-6-5-8-21(2)11-18-14(10-16(13)21)15(20(25)26-18)12-23-17-7-3-4-9-22-19(17)24/h14-18,23H,1,3-12H2,2H3,(H,22,24)/t14-,15?,16?,17+,18-,21-/m1/s1InChIKey
FNZXGPROFSMFFW-IDVYOXPASA-NSynonyms
956949-00-1(3~(S))3(((3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene2oxo3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran3yl)methylamino)azepan2one
(3S)3((((3S3aR8aR9aR)8amethyl5methylene2oxododecahydronaphtho(23b)furan3yl)methyl)amino)azepan2one
16397130
956949001
InChI=1SC21H32N2O3c11365821(2)111814(1016(13)21)15(20(25)2618)12231773492219(17)24h141823H1312H22H3(H2224)t1415?16?17+1821m1s1
MFCD32649815
O=C1O(C@H)2(C@@H)(C1CN(C@H)1CCCCNC1=O)CC1(C@)(C2)(C)CCCC1=C
ZINC000004028699
ZINC000012660031
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