Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-9-((4-acetylpiperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL529967
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(=O)C)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 C21H32N2O4 MW 376.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32N2O4/c1-13-5-4-6-20(3)11-16-17(18-21(13,20)27-18)15(19(25)26-16)12-22-7-9-23(10-8-22)14(2)24/h13,15-18H,4-12H2,1-3H3/t13-,15?,16+,17+,18?,20+,21?/m0/s1InChIKey
PPDVGELFYKOZSV-WXPSWGHQSA-NSynonyms
1212451-91-6(2S5aR6aR9S9aR)9((4acetylpiperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))5((4acetylpiperazin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1212451916
16404569
InChI=1SC21H32N2O4c11354620(3)111617(1821(1320)2718)15(19(25)2616)12227923(10822)14(2)24h131518H412H213H3t1315?16+17+18?20+21?m0s1
MFCD32649911
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(=O)C)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000020612326
ZINC000230022465
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