Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-9-((4-benzyl-4-hydroxypiperidin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL532176
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)(O)Cc1ccccc1)C1OC31[C@](C2)(C)CCC[C@@H]3C
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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 C27H37NO4 MW 439.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO4/c1-18-7-6-10-25(2)16-21-22(23-27(18,25)32-23)20(24(29)31-21)17-28-13-11-26(30,12-14-28)15-19-8-4-3-5-9-19/h3-5,8-9,18,20-23,30H,6-7,10-17H2,1-2H3/t18-,20?,21+,22+,23?,25+,27?/m0/s1InChIKey
SEFBXNOHHRTZSK-CBSGNDMYSA-NSynonyms
1212434-73-5(2S5aR6aR9S9aR)9((4benzyl4hydroxypiperidin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))5((4benzyl4hydroxypiperidin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1212434735
16403802
InChI=1SC27H37NO4c118761025(2)162122(2327(1825)3223)20(24(29)3121)1728131126(30121428)15198435919h358918202330H671017H212H3t1820?21+22+23?25+27?m0s1
MFCD32649938
O=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)(O)Cc1ccccc1)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000008790080
ZINC000100772193
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