Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL548575
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC3(CC1)OCCO3)[C@H](O)[C@]1(C(=CCC[C@H]1C)C2)C
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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/c1-14-4-3-5-15-12-17-18(19(24)21(14,15)2)16(20(25)28-17)13-23-8-6-22(7-9-23)26-10-11-27-22/h5,14,16-19,24H,3-4,6-13H2,1-2H3/t14-,16?,17+,18+,19-,21+/m0/s1InChIKey
NIQPEHCERNDLQS-BCJZYHIXSA-NSynonyms
1212479-28-1(3S3aS4S4aR5S9aR)3(14dioxa8azaspiro(45)decan8ylmethyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212479281
InChI=1SC22H33NO5c11443515121718(19(24)21(1415)2)16(20(25)2817)13238622(7923)2610112722h514161924H34613H212H3t1416?17+18+1921+m0s1
MFCD32650053
O=C1O(C@H)2(C@@H)(C1CN1CCC3(CC1)OCCO3)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000002157207
ZINC000004063791
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