Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-((4-(3-methoxyphenyl)piperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL526949
SMILES COc1cccc(c1)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 C26H36N2O4 MW 440.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O4/c1-17-6-5-9-25(2)15-21-22(23-26(17,25)32-23)20(24(29)31-21)16-27-10-12-28(13-11-27)18-7-4-8-19(14-18)30-3/h4,7-8,14,17,20-23H,5-6,9-13,15-16H2,1-3H3/t17-,20?,21+,22+,23-,25+,26-/m0/s1InChIKey
BWCCPKOGNYJWSN-JGDLQBPBSA-NSynonyms
956972-00-2(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5((4(3methoxyphenyl)piperazin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(2S5aR6aR9S9aR)9((4(3methoxyphenyl)piperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
16397584
956972002
COc1cccc(c1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C1OC31(C@)(C2)(C)CCC(C@@H)3C
InChI=1SC26H36N2O4c11765925(2)152122(2326(1725)3223)20(24(29)3121)1627101228(131127)1874819(1418)303h47814172023H569131516H213H3t1720?21+22+2325+26m0s1
MFCD32649854
ZINC000059409342
ZINC000061991222
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