Vitas-M small molecule compound
(2'R,3S,3aR,4aR,8aR,9aR)-8a-methyl-3-(((pyridin-2-ylmethyl)amino)methyl)decahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL540075
SMILES O=C1O[C@H]2[C@@H](C1CNCc1ccccn1)C[C@@H]1[C@](C2)(C)CCC[C@]21OC2
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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 C21H28N2O3 MW 356.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O3/c1-20-6-4-7-21(13-25-21)18(20)9-15-16(19(24)26-17(15)10-20)12-22-11-14-5-2-3-8-23-14/h2-3,5,8,15-18,22H,4,6-7,9-13H2,1H3/t15-,16?,17-,18-,20-,21+/m1/s1InChIKey
BBNOGWGUFLDUNV-NHXVDCINSA-NSynonyms
956969-78-1(2R3S3aR4aR8aR9aR)8amethyl3(((pyridin2ylmethyl)amino)methyl)decahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)4~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl3((pyridin2ylmethylamino)methyl)spiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16401794
956969781
InChI=1SC21H28N2O3c12064721(132521)18(20)91516(19(24)2617(15)1020)1222111452382314h2358151822H467913H21H3t1516?17182021+m1s1
O=C1O(C@H)2(C@@H)(C1CNCc1ccccn1)C(C@@H)1(C@)(C2)(C)CCC(C@)21OC2
ZINC000004000088
ZINC000012664331
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