Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((2-(4-(4-methoxyphenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one hydrochloride
Catalog ID
STL552964
SMILES COc1ccc(cc1)C1(CCNCC2C(=O)O[C@H]3[C@@H]2CC2=C(C)CCC[C@@]2(C3)C)CCOC(C1)(C)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 C31H45NO4 MW 495.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45NO4/c1-21-7-6-12-30(4)18-27-24(17-26(21)30)25(28(33)36-27)19-32-15-13-31(14-16-35-29(2,3)20-31)22-8-10-23(34-5)11-9-22/h8-11,24-25,27,32H,6-7,12-20H2,1-5H3/t24-,25?,27-,30-,31?/m1/s1InChIKey
UFWINNDKPCZSNS-XJECYCFGSA-NSynonyms
(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((2(4(4methoxyphenyl)22dimethyloxan4yl)ethylamino)methyl)58~(a)dimethyl33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((2(4(4methoxyphenyl)22dimethyltetrahydro2Hpyran4yl)ethyl)amino)methyl)58adimethyl3a46788a99aoctahydronaphtho(23b)furan2(3H)onehydrochloride
16397600
COc1ccc(cc1)C1(CCNCC2C(=O)O(C@H)3(C@@H)2CC2=C(C)CCC(C@@)2(C3)C)CCOC(C1)(C)CCl
InChI=1SC31H45NO4c121761230(4)182724(1726(21)30)25(28(33)3627)1932151331(14163529(23)2031)2281023(345)11922h81124252732H671220H215H3t2425?273031?m1s1
ZINC000009008579
ZINC000012660752
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