Vitas-M small molecule compound

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

Catalog ID
STL540488
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)Cc1ccccc1)CC1[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 C27H37NO3 MW 423.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO3/c1-26-10-5-11-27(18-30-27)24(26)15-21-22(25(29)31-23(21)16-26)17-28-12-8-20(9-13-28)14-19-6-3-2-4-7-19/h2-4,6-7,20-24H,5,8-18H2,1H3/t21-,22?,23-,24?,26-,27?/m1/s1
InChIKey
FQUGTMQIPAOEGK-SQOGIVKGSA-N
Synonyms
1212491-87-6
(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4benzylpiperidin1yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3((4benzylpiperidin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212491876
16404158
InChI=1SC27H37NO3c1261051127(183027)24(26)152122(25(29)3123(21)1626)172812820(91328)14196324719h24672024H5818H21H3t2122?2324?2627?m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)Cc1ccccc1)CC1(C@)(C2)(C)CCCC21OC2
ZINC000004084966
ZINC000252693810

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Available files

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