Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-8a-methyl-3-((4-(m-tolyl)piperazin-1-yl)methyl)decahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL531477
SMILES Cc1cccc(c1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCCC21OC2
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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 C26H36N2O3 MW 424.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O3/c1-18-5-3-6-19(13-18)28-11-9-27(10-12-28)16-21-20-14-23-25(2,15-22(20)31-24(21)29)7-4-8-26(23)17-30-26/h3,5-6,13,20-23H,4,7-12,14-17H2,1-2H3/t20-,21?,22-,23?,25-,26?/m1/s1InChIKey
WXTWEPYEQCZEHU-QPFZBUGGSA-NSynonyms
1212458-89-3(3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl3((4(3methylphenyl)piperazin1yl)methyl)spiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)8amethyl3((4(mtolyl)piperazin1yl)methyl)decahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212458893
16403768
Cc1cccc(c1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCCC21OC2
InChI=1SC26H36N2O3c11853619(1318)2811927(101228)162120142325(21522(20)3124(21)29)74826(23)173026h356132023H47121417H212H3t2021?2223?2526?m1s1
ZINC000059415290
ZINC000082051446
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