Vitas-M small molecule compound
(3S,3aR,5R,8aR,9aR)-4a-hydroxy-5-methoxy-3-((4-(3-methoxyphenyl)piperazin-1-yl)methyl)-5,8a-dimethyldecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL528103
SMILES COc1cccc(c1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1(O)[C@](C2)(C)CCC[C@@]1(C)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 C27H40N2O5 MW 472.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40N2O5/c1-25-9-6-10-26(2,33-4)27(25,31)16-21-22(24(30)34-23(21)17-25)18-28-11-13-29(14-12-28)19-7-5-8-20(15-19)32-3/h5,7-8,15,21-23,31H,6,9-14,16-18H2,1-4H3/t21-,22?,23-,25-,26-,27?/m1/s1InChIKey
HWGAGESRKNXOOM-MAZMTHABSA-NSynonyms
956968-28-8(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))4~(a)hydroxy5methoxy3((4(3methoxyphenyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5R8aR9aR)4ahydroxy5methoxy3((4(3methoxyphenyl)piperazin1yl)methyl)58adimethyldecahydronaphtho(23b)furan2(3H)one
16398701
956968288
COc1cccc(c1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1(O)(C@)(C2)(C)CCC(C@@)1(C)OC
InChI=1SC27H40N2O5c125961026(2334)27(2531)162122(24(30)3423(21)1725)1828111329(141228)1975820(1519)323h57815212331H69141618H214H3t2122?23252627?m1s1
ZINC000059415062
ZINC000061997030
Check stock
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