Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-([1,4'-bipiperidin]-1'-ylmethyl)-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL531011
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)N1CCCCC1)[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 C25H40N2O3 MW 416.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H40N2O3/c1-17-7-6-8-18-15-21-22(23(28)25(17,18)2)20(24(29)30-21)16-26-13-9-19(10-14-26)27-11-4-3-5-12-27/h8,17,19-23,28H,3-7,9-16H2,1-2H3/t17-,20?,21+,22+,23-,25+/m0/s1InChIKey
GQWCDWWREXSFDW-CJMBZIDBSA-NSynonyms
1214633-04-1(3S3aS4S4aR5S9aR)3((14bipiperidin)1ylmethyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1214633041
InChI=1SC25H40N2O3c11776818152122(23(28)25(1718)2)20(24(29)3021)162613919(101426)27114351227h817192328H37916H212H3t1720?21+22+2325+m0s1
MFCD32649922
O=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)N1CCCCC1)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000002102026
ZINC000004063002
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