Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-9-((4-ethylpiperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL534082
SMILES CCN1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C1OC31[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 C21H34N2O3 MW 362.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34N2O3/c1-4-22-8-10-23(11-9-22)13-15-17-16(25-19(15)24)12-20(3)7-5-6-14(2)21(20)18(17)26-21/h14-18H,4-13H2,1-3H3/t14-,15?,16+,17+,18?,20+,21?/m0/s1InChIKey
OURZJOAJOVHDAD-XTUDOTINSA-NSynonyms
1212440-32-8(2S5aR6aR9S9aR)9((4ethylpiperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))5((4ethylpiperazin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1212440328
16405123
CCN1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C1OC31(C@)(C2)(C)CCC(C@@H)3C
InChI=1SC21H34N2O3c142281023(11922)13151716(2519(15)24)1220(3)75614(2)21(20)18(17)2621h1418H413H213H3t1415?16+17+18?20+21?m0s1
MFCD32649965
ZINC000020756445
ZINC000252694719
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