Vitas-M small molecule compound
(3S,3aR,4aR,8aR,9aR)-3-((4-(2,5-dimethylphenyl)piperazin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL536953
SMILES Cc1ccc(c(c1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C[C@@H]1[C@](C2)(C)CCCC21OC2)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 C27H38N2O3 MW 438.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O3/c1-18-5-6-19(2)22(13-18)29-11-9-28(10-12-29)16-21-20-14-24-26(3,15-23(20)32-25(21)30)7-4-8-27(24)17-31-27/h5-6,13,20-21,23-24H,4,7-12,14-17H2,1-3H3/t20-,21?,23-,24-,26-,27?/m1/s1InChIKey
KYEMKRFJBAWDNL-VBARXRLNSA-NSynonyms
956990-40-2(3~(a)~(R)4~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(25dimethylphenyl)piperazin1yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR4aR8aR9aR)3((4(25dimethylphenyl)piperazin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
16400630
956990402
Cc1ccc(c(c1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C(C@@H)1(C@)(C2)(C)CCCC21OC2)C
InChI=1SC27H38N2O3c1185619(2)22(1318)2911928(101229)162120142426(31523(20)3225(21)30)74827(24)173127h561320212324H47121417H213H3t2021?23242627?m1s1
ZINC000059415265
ZINC000061997601
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