Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((R)-2-(hydroxymethyl)piperidin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL562892
SMILES OCC1CCCCN1CC1C(=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(24)26-17(15)10-20)11-22-8-3-2-5-14(22)12-23/h14-18,23H,2-13H2,1H3/t14?,15-,16?,17-,18?,20-,21?/m1/s1InChIKey
VQSWXEJDECKEJC-BEWKVKEVSA-NSynonyms
1212484-15-5(3aR8aR9aR)3((2(hydroxymethyl)piperidin1yl)methyl)8amethylspiro(3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3(((R)2(hydroxymethyl)piperidin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212484155
16404417
InChI=1SC21H33NO4c12064721(132521)18(20)91516(19(24)2617(15)1020)1122832514(22)1223h141823H213H21H3t14?1516?1718?2021?m1s1
OCC1CCCCN1CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCCC21OC2
ZINC000006623742
ZINC000252695146
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