Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-5,8a-dimethyl-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Catalog ID
STL553151
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC3(CC1)OCCO3)C=C1[C@](C2)(C)CCC=C1C
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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 C22H31NO4 MW 373.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31NO4/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(24)27-19)14-23-8-6-22(7-9-23)25-10-11-26-22/h4,12,16-17,19H,3,5-11,13-14H2,1-2H3/t16-,17?,19-,21-/m1/s1InChIKey
IQLCNKFYAQMXOI-GHWSDNEESA-NSynonyms
956964-91-3(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(14dioxa8azaspiro(45)decan8ylmethyl)58~(a)dimethyl33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(14dioxa8azaspiro(45)decan8ylmethyl)58adimethyl33a88a99ahexahydronaphtho(23b)furan2(7H)one
16398327
956964913
InChI=1SC22H31NO4c11543521(2)131916(1218(15)21)17(20(24)2719)14238622(7923)2510112622h412161719H35111314H212H3t1617?1921m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCC3(CC1)OCCO3)C=C1(C@)(C2)(C)CCC=C1C
ZINC000002091007
ZINC000004043793
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