Vitas-M small molecule compound
ethyl 1-(((3S,3aR,8aR,9aR)-8a-methyl-2-oxodecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-3-yl)methyl)piperidine-3-carboxylate oxalate
Catalog ID
STL534707
SMILES CCOC(=O)C1CCCN(C1)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 C23H35NO5 MW 405.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H35NO5/c1-3-27-20(25)15-6-4-9-24(12-15)13-17-16-10-19-22(2,11-18(16)29-21(17)26)7-5-8-23(19)14-28-23/h15-19H,3-14H2,1-2H3/t15?,16-,17?,18-,19?,22-,23?/m1/s1InChIKey
MRCZGRKLFRRWMY-VHTNJOOXSA-NSynonyms
16405058
ethyl1(((3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl2oxospiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)3yl)methyl)piperidine3carboxylate
ethyl1(((3S3aR8aR9aR)8amethyl2oxodecahydro2Hspiro(naphtho(23b)furan52oxiran)3yl)methyl)piperidine3carboxylateoxalate
InChI=1SC23H35NO5c132720(25)1564924(1215)131716101922(21118(16)2921(17)26)75823(19)142823h1519H314H212H3t15?1617?1819?2223?m1s1
OC(=O)C(=O)OCCOC(=O)C1CCCN(C1)CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCCC21OC2
ZINC000106536814
ZINC000252346956
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