Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-9-((4-cinnamylpiperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL533204
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C/C=C/c1ccccc1)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 C28H38N2O3 MW 450.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O3/c1-20-8-6-12-27(2)18-23-24(25-28(20,27)33-25)22(26(31)32-23)19-30-16-14-29(15-17-30)13-7-11-21-9-4-3-5-10-21/h3-5,7,9-11,20,22-25H,6,8,12-19H2,1-2H3/b11-7+/t20-,22?,23+,24+,25?,27+,28?/m0/s1InChIKey
XVVRRFBYFQNSIN-VOSUMYIISA-NSynonyms
(2S5aR6aR9S9aR)9((4cinnamylpiperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))1014dimethyl5((4((~(E))3phenylprop2enyl)piperazin1yl)methyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
16404546
InChI=1SC28H38N2O3c120861227(2)182324(2528(2027)3325)22(26(31)3223)1930161429(151730)137112194351021h357911202225H681219H212H3b117+t2022?23+24+25?27+28?m0s1
MFCD32649947
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)CC=Cc1ccccc1)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000020612301
ZINC000100775204
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