Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-((4-methylpiperazin-1-yl)methyl)-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL533952
SMILES CN1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C
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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 C20H32N2O2 MW 332.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H32N2O2/c1-14-5-4-6-20(2)12-18-15(11-17(14)20)16(19(23)24-18)13-22-9-7-21(3)8-10-22/h11,14-16,18H,4-10,12-13H2,1-3H3/t14-,15+,16?,18+,20+/m0/s1InChIKey
GGQNKELRRAZPBI-DGFBGLFZSA-NSynonyms
313693-40-2(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))58~(a)dimethyl3((4methylpiperazin1yl)methyl)33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)58adimethyl3((4methylpiperazin1yl)methyl)33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16395537
313693402
CN1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
InChI=1SC20H32N2O2c11454620(2)121815(1117(14)20)16(19(23)2418)13229721(3)81022h11141618H4101213H213H3t1415+16?18+20+m0s1
MFCD32649963
ZINC000019703189
ZINC000019703191
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