Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((2-(methoxymethyl)pyrrolidin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one oxalate
Catalog ID
STL533352
SMILES COCC1CCCN1CC1C(=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 C21H33NO4 MW 363.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33NO4/c1-20-6-4-7-21(13-25-21)18(20)9-15-16(19(23)26-17(15)10-20)11-22-8-3-5-14(22)12-24-2/h14-18H,3-13H2,1-2H3/t14?,15-,16?,17-,18?,20-,21?/m1/s1InChIKey
REILRXPTAKYZGI-BEWKVKEVSA-NSynonyms
(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((2(methoxymethyl)pyrrolidin1yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3((2(methoxymethyl)pyrrolidin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2oneoxalate
16404131
InChI=1SC21H33NO4c12064721(132521)18(20)91516(19(23)2617(15)1020)112283514(22)12242h1418H313H212H3t14?1516?1718?2021?m1s1
OC(=O)C(=O)OCOCC1CCCN1CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCCC21OC2
ZINC000106588739
ZINC000252462275
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