Vitas-M small molecule compound

(3S,3aR,5R,8aR,9aR)-4a-hydroxy-5-methoxy-3-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-5,8a-dimethyldecahydronaphtho[2,3-b]furan-2(3H)-one

Catalog ID
STL527609
SMILES COc1ccccc1N1CCN(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/c1-25-10-7-11-26(2,33-4)27(25,31)16-19-20(24(30)34-23(19)17-25)18-28-12-14-29(15-13-28)21-8-5-6-9-22(21)32-3/h5-6,8-9,19-20,23,31H,7,10-18H2,1-4H3/t19-,20?,23-,25-,26-,27?/m1/s1
InChIKey
GMYLBVYWOJNCTD-LGLJAXCTSA-N
Synonyms
956973-48-1
(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))4~(a)hydroxy5methoxy3((4(2methoxyphenyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5R8aR9aR)4ahydroxy5methoxy3((4(2methoxyphenyl)piperazin1yl)methyl)58adimethyldecahydronaphtho(23b)furan2(3H)one
16398096
956973481
COc1ccccc1N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1(O)(C@)(C2)(C)CCC(C@@)1(C)OC
InChI=1SC27H40N2O5c1251071126(2334)27(2531)161920(24(30)3423(19)1725)1828121429(151328)21856922(21)323h568919202331H71018H214H3t1920?23252627?m1s1
ZINC000059410366
ZINC000061996986

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Available files

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