Vitas-M small molecule compound

(2'R,3S,3aR,4aR,8aR,9aR)-3-((((1S,2S)-1-hydroxy-1-phenylpropan-2-yl)(methyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one

Catalog ID
STL540979
SMILES CN([C@H]([C@H](c1ccccc1)O)C)CC1C(=O)O[C@H]2[C@@H]1C[C@@H]1[C@](C2)(C)CCC[C@]21OC2

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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 C25H35NO4 MW 413.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35NO4/c1-16(22(27)17-8-5-4-6-9-17)26(3)14-19-18-12-21-24(2,13-20(18)30-23(19)28)10-7-11-25(21)15-29-25/h4-6,8-9,16,18-22,27H,7,10-15H2,1-3H3/t16-,18+,19?,20+,21+,22+,24+,25-/m0/s1
InChIKey
KFMMSMOZISSCAW-GNOAUIKHSA-N
Synonyms
956919-17-8
(2R3S3aR4aR8aR9aR)3((((1S2S)1hydroxy1phenylpropan2yl)(methyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)4~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))3((((1~(S)2~(S))1hydroxy1phenylpropan2yl)methylamino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16401891
956919178
CN((C@H)((C@H)(c1ccccc1)O)C)CC1C(=O)O(C@H)2(C@@H)1C(C@@H)1(C@)(C2)(C)CCC(C@)21OC2
InChI=1SC25H35NO4c116(22(27)178546917)26(3)141918122124(21320(18)3023(19)28)1071125(21)152925h468916182227H71015H213H3t1618+19?20+21+22+24+25m0s1
MFCD32650005
ZINC000004082235
ZINC000012872003

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Available files

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