Vitas-M small molecule compound

ethyl 1-(((3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-2-oxo-2,3,3a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-3-yl)methyl)piperidine-4-carboxylate

Catalog ID
STL534449
SMILES CCOC(=O)C1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](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 C23H35NO4 MW 389.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H35NO4/c1-4-27-21(25)16-7-10-24(11-8-16)14-18-17-12-19-15(2)6-5-9-23(19,3)13-20(17)28-22(18)26/h12,15-18,20H,4-11,13-14H2,1-3H3/t15-,17+,18?,20+,23+/m0/s1
InChIKey
MJTGTTNNLCMSNV-NZXZJIMJSA-N
Synonyms
956984-10-4
16404944
956984104
CCOC(=O)C1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
ethyl1(((3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))58~(a)dimethyl2oxo33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran3yl)methyl)piperidine4carboxylate
ethyl1(((3S3aR5S8aR9aR)58adimethyl2oxo233a56788a99adecahydronaphtho(23b)furan3yl)methyl)piperidine4carboxylate
InChI=1SC23H35NO4c142721(25)1671024(11816)141817121915(2)65923(193)1320(17)2822(18)26h12151820H4111314H213H3t1517+18?20+23+m0s1
MFCD32649981
ZINC000006623789
ZINC000012885630

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Available files

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