Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((2-(4-(4-methoxyphenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one hydrochloride
Catalog ID
STL565281
SMILES COc1ccc(cc1)C1(CCNCC2C(=O)O[C@H]3[C@@H]2CC2C(=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/h8-11,24-27,32H,1,6-7,12-20H2,2-5H3/t24-,25?,26?,27-,30-,31?/m1/s1InChIKey
RFDKIHZDUCQJAN-SZRIOQLWSA-NSynonyms
(3aR8aR9aR)3((2(4(4methoxyphenyl)22dimethyloxan4yl)ethylamino)methyl)8amethyl5methylidene3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((2(4(4methoxyphenyl)22dimethyltetrahydro2Hpyran4yl)ethyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)onehydrochloride
16397050
COc1ccc(cc1)C1(CCNCC2C(=O)O(C@H)3(C@@H)2CC2C(=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)11922h811242732H1671220H225H3t2425?26?273031?m1s1
ZINC000008763176
ZINC000012659909
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