Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-8a-methyl-5-methylene-3-((((S)-1-phenylethyl)amino)methyl)decahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL532830
SMILES O=C1O[C@H]2[C@@H](C1CN[C@H](c1ccccc1)C)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 C23H31NO2 MW 353.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO2/c1-15-8-7-11-23(3)13-21-18(12-20(15)23)19(22(25)26-21)14-24-16(2)17-9-5-4-6-10-17/h4-6,9-10,16,18-21,24H,1,7-8,11-14H2,2-3H3/t16-,18+,19?,20?,21+,23+/m0/s1InChIKey
YMDKUNNJPAGDDL-PZJTVXNNSA-NSynonyms
957031-23-1(3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene3((((1~(S))1phenylethyl)amino)methyl)3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)8amethyl5methylene3((((S)1phenylethyl)amino)methyl)decahydronaphtho(23b)furan2(3H)one
16404979
957031231
InChI=1SC23H31NO2c115871123(3)132118(1220(15)23)19(22(25)2621)142416(2)1795461017h4691016182124H1781114H223H3t1618+19?20?21+23+m0s1
MFCD32649943
O=C1O(C@H)2(C@@H)(C1CN(C@H)(c1ccccc1)C)CC1(C@)(C2)(C)CCCC1=C
ZINC000004086879
ZINC000012885796
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