Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-2,5a-dimethyl-9-(((2-(piperidin-1-yl)ethyl)amino)methyl)octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL527582
SMILES O=C1O[C@H]2[C@@H](C1CNCCN1CCCCC1)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C
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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 C22H36N2O3 MW 376.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H36N2O3/c1-15-7-6-8-21(2)13-17-18(19-22(15,21)27-19)16(20(25)26-17)14-23-9-12-24-10-4-3-5-11-24/h15-19,23H,3-14H2,1-2H3/t15-,16?,17+,18+,19-,21+,22-/m0/s1InChIKey
MAOIFIKKGHIIPM-CMCVALMESA-NSynonyms
956932-31-3(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))1014dimethyl5((2piperidin1ylethylamino)methyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)25adimethyl9(((2(piperidin1yl)ethyl)amino)methyl)octahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
16398081
956932313
InChI=1SC22H36N2O3c11576821(2)131718(1922(1521)2719)16(20(25)2617)142391224104351124h151923H314H212H3t1516?17+18+1921+22m0s1
MFCD32649871
O=C1O(C@H)2(C@@H)(C1CNCCN1CCCCC1)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000020113973
ZINC000020113976
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