Vitas-M small molecule compound
ethyl 4-(((1aR,2S,5aR,6aR,9S,9aR,9bS)-2,5a-dimethyl-8-oxodecahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-9-yl)methyl)piperazine-1-carboxylate
Catalog ID
STL546940
SMILES CCOC(=O)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1[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 C22H34N2O5 MW 406.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34N2O5/c1-4-27-20(26)24-10-8-23(9-11-24)13-15-17-16(28-19(15)25)12-21(3)7-5-6-14(2)22(21)18(17)29-22/h14-18H,4-13H2,1-3H3/t14-,15?,16+,17+,18-,21+,22-/m0/s1InChIKey
JDADABNDMOLKDD-GDOZBXNSSA-NSynonyms
956946-15-916400887
956946159
CCOC(=O)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ethyl4(((1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))1014dimethyl6oxo27dioxatetracyclo(8400^(13)0^(48))tetradecan5yl)methyl)piperazine1carboxylate
ethyl4(((1aR2S5aR6aR9S9aR9bS)25adimethyl8oxodecahydro2Hoxireno(2344a)naphtho(23b)furan9yl)methyl)piperazine1carboxylate
InChI=1SC22H34N2O5c142720(26)2410823(91124)13151716(2819(15)25)1221(3)75614(2)22(21)18(17)2922h1418H413H213H3t1415?16+17+1821+22m0s1
MFCD32650035
ZINC000020609791
ZINC000020609793
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