Vitas-M small molecule compound

(3S,3aR,4aS,8aR,9aR)-8a-methyl-5-methylene-3-((4-methylpiperazin-1-yl)methyl)decahydronaphtho[2,3-b]furan-2(3H)-one

Catalog ID
STL564414
SMILES CN1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=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/h15-18H,1,4-13H2,2-3H3/t15-,16?,17+,18-,20-/m1/s1
InChIKey
LLAWFIRDWMEMEQ-UNEYCJDPSA-N
Synonyms
1214626-26-2
(3aR4aS8aR9aR)8amethyl5methylidene3((4methylpiperazin1yl)methyl)3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)8amethyl5methylene3((4methylpiperazin1yl)methyl)decahydronaphtho(23b)furan2(3H)one
1214626262
16395812
CN1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C(C@H)1C(=C)CCC(C@@)1(C2)C
InChI=1SC20H32N2O2c11454620(2)121815(1117(14)20)16(19(23)2418)13229721(3)81022h1518H1413H223H3t1516?17+1820m1s1
MFCD32651461
ZINC000019703405
ZINC000019703407

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Available files

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