Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((((2S,3S)-3-hydroxy-2-methyl-3-phenylpropyl)(methyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL525358
SMILES CN(C[C@@H]([C@@H](c1ccccc1)O)C)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCCC21OC2
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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 C26H37NO4 MW 427.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37NO4/c1-17(23(28)18-8-5-4-6-9-18)14-27(3)15-20-19-12-22-25(2,13-21(19)31-24(20)29)10-7-11-26(22)16-30-26/h4-6,8-9,17,19-23,28H,7,10-16H2,1-3H3/t17-,19+,20?,21+,22?,23-,25+,26?/m0/s1InChIKey
UIRJEEIPORNOGR-NVISVDBRSA-NSynonyms
(2R3S3aR4aR8aR9aR)3((((2R3R)3hydroxy2methyl3phenylpropyl)(methyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((((2~(S)3~(S))3hydroxy2methyl3phenylpropyl)methylamino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
135639048
CN(C(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=1SC26H37NO4c117(23(28)188546918)1427(3)152019122225(21321(19)3124(20)29)1071126(22)163026h468917192328H71016H213H3t1719+20?21+22?2325+26?m0s1
MFCD32649800
ZINC001772491674
ZINC001772491677
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