Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL527627
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC3(CC1)OCCO3)[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 C22H33NO5 MW 391.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H33NO5/c1-14-4-3-5-20(2)12-16-17(18-22(14,20)28-18)15(19(24)27-16)13-23-8-6-21(7-9-23)25-10-11-26-21/h14-18H,3-13H2,1-2H3/t14-,15?,16+,17+,18-,20+,22-/m0/s1InChIKey
NMLZPXZDTHBJLT-DKTPISKBSA-NSynonyms
1212435-93-2(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5(14dioxa8azaspiro(45)decan8ylmethyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9(14dioxa8azaspiro(45)decan8ylmethyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
1212435932
16398026
InChI=1SC22H33NO5c11443520(2)121617(1822(1420)2818)15(19(24)2716)13238621(7923)2510112621h1418H313H212H3t1415?16+17+1820+22m0s1
MFCD32649875
O=C1O(C@H)2(C@@H)(C1CN1CCC3(CC1)OCCO3)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000061996976
ZINC000061996977
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