Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-3-(((2-hydroxy-2-(4-hydroxyphenyl)ethyl)(methyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL548642
SMILES CN(CC(c1ccc(cc1)O)O)CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=C)CCC[C@@]1(C2)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 C24H33NO4 MW 399.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33NO4/c1-15-5-4-10-24(2)12-22-18(11-20(15)24)19(23(28)29-22)13-25(3)14-21(27)16-6-8-17(26)9-7-16/h6-9,18-22,26-27H,1,4-5,10-14H2,2-3H3/t18-,19?,20+,21?,22-,24-/m1/s1InChIKey
OBTXHSTWEOYBKT-FQUXWOMESA-NSynonyms
956990-65-1(3~(a)~(R)4~(a)~(S)8~(a)~(R)9~(a)~(R))3(((2hydroxy2(4hydroxyphenyl)ethyl)methylamino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)3(((2hydroxy2(4hydroxyphenyl)ethyl)(methyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16400687
956990651
CN(CC(c1ccc(cc1)O)O)CC1C(=O)O(C@H)2(C@@H)1C(C@H)1C(=C)CCC(C@@)1(C2)C
InChI=1SC24H33NO4c115541024(2)122218(1120(15)24)19(23(28)2922)1325(3)1421(27)166817(26)9716h6918222627H1451014H223H3t1819?20+21?2224m1s1
MFCD32650055
ZINC000004073596
ZINC000105374643
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