Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-phenylethyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL564984
SMILES O=C1O[C@H]2[C@@H](C1CNC(C1CCOC(C1)(C)C)Cc1ccccc1)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 C30H43NO3 MW 465.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H43NO3/c1-20-9-8-13-30(4)18-27-23(16-25(20)30)24(28(32)34-27)19-31-26(15-21-10-6-5-7-11-21)22-12-14-33-29(2,3)17-22/h5-7,10-11,22-27,31H,1,8-9,12-19H2,2-4H3/t22?,23-,24?,25?,26?,27-,30-/m1/s1InChIKey
RMMPWNARLUDWQX-HYXQNFCKSA-NSynonyms
1212475-85-8(3aR8aR9aR)3(((1(22dimethyloxan4yl)2phenylethyl)amino)methyl)8amethyl5methylidene3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((1(22dimethyltetrahydro2Hpyran4yl)2phenylethyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
1212475858
16398834
InChI=1SC30H43NO3c120981330(4)182723(1625(20)30)24(28(32)3427)193126(1521106571121)2212143329(23)1722h571011222731H1891219H224H3t22?2324?25?26?2730m1s1
O=C1O(C@H)2(C@@H)(C1CNC(C1CCOC(C1)(C)C)Cc1ccccc1)CC1(C@)(C2)(C)CCCC1=C
ZINC000009034033
ZINC000217433385
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