Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((2,5-dimethoxybenzyl)(2-morpholinoethyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL531733
SMILES COc1ccc(cc1CN(CC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C)CCN1CCOCC1)OC
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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 C30H44N2O5 MW 512.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H44N2O5/c1-21-6-5-9-30(2)18-28-24(17-26(21)30)25(29(33)37-28)20-32(11-10-31-12-14-36-15-13-31)19-22-16-23(34-3)7-8-27(22)35-4/h7-8,16,24-26,28H,1,5-6,9-15,17-20H2,2-4H3/t24-,25?,26?,28-,30-/m1/s1InChIKey
TZFPNBBHWXEWSL-WMUIIHJLSA-NSynonyms
957023-92-6(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(((25dimethoxyphenyl)methyl(2morpholin4ylethyl)amino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((25dimethoxybenzyl)(2morpholinoethyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16408307
957023926
COc1ccc(cc1CN(CC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C)CCN1CCOCC1)OC
InChI=1SC30H44N2O5c12165930(2)182824(1726(21)30)25(29(33)3728)2032(111031121436151331)19221623(343)7827(22)354h7816242628H1569151720H224H3t2425?26?2830m1s1
ZINC000020759529
ZINC000035485150
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