Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-benzoylpiperidin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL530971
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)C(=O)c1ccccc1)CC1[C@](C2)(C)CCCC1=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 C27H35NO3 MW 421.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO3/c1-18-7-6-12-27(2)16-24-21(15-23(18)27)22(26(30)31-24)17-28-13-10-20(11-14-28)25(29)19-8-4-3-5-9-19/h3-5,8-9,20-24H,1,6-7,10-17H2,2H3/t21-,22?,23?,24-,27-/m1/s1InChIKey
LZDLFICBKDIUQP-NLDKXAPCSA-NSynonyms
956827-20-6(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4benzoylpiperidin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4benzoylpiperidin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16404954
956827206
InChI=1SC27H35NO3c118761227(2)162421(1523(18)27)22(26(30)3124)1728131020(111428)25(29)198435919h35892024H1671017H22H3t2122?23?2427m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)C(=O)c1ccccc1)CC1(C@)(C2)(C)CCCC1=C
ZINC000004086774
ZINC000012885669
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