Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-9-([1,4'-bipiperidin]-1'-ylmethyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one oxalate
Catalog ID
STL530995
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)N1CCCCC1)C1OC31[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 C25H40N2O3 MW 416.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H40N2O3/c1-17-7-6-10-24(2)15-20-21(22-25(17,24)30-22)19(23(28)29-20)16-26-13-8-18(9-14-26)27-11-4-3-5-12-27/h17-22H,3-16H2,1-2H3/t17-,19?,20+,21+,22?,24+,25?/m0/s1InChIKey
OBUBCWVJPUPRGV-LDVCZJRMSA-NSynonyms
(2S5aR6aR9S9aR)9((14bipiperidin)1ylmethyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)oneoxalate
(4~(R)8~(R)10~(R)14~(S))1014dimethyl5((4piperidin1ylpiperidin1yl)methyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
16403654
InChI=1SC25H40N2O3c117761024(2)152021(2225(1724)3022)19(23(28)2920)162613818(91426)27114351227h1722H316H212H3t1719?20+21+22?24+25?m0s1
MFCD32649921
OC(=O)C(=O)OO=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)N1CCCCC1)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000004084332
ZINC000100771716
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