Vitas-M small molecule compound
(1aR,1bR,4R,4aS,7R,7aS,9aR)-7,9a-dimethyl-4-((4-methylpiperazin-1-yl)methyl)octahydro-1aH-oxireno[2',3':7,8]naphtho[8a,1-b]furan-3(4H)-one
Catalog ID
STL546323
SMILES CN1CCN(CC1)CC1C(=O)O[C@@]23[C@H]1CC[C@H]([C@@H]2CC[C@@]1([C@H]3O1)C)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 C20H32N2O3 MW 348.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H32N2O3/c1-13-4-5-16-14(12-22-10-8-21(3)9-11-22)17(23)24-20(16)15(13)6-7-19(2)18(20)25-19/h13-16,18H,4-12H2,1-3H3/t13-,14?,15+,16+,18-,19-,20-/m1/s1InChIKey
KQIOCJKZEHBBAM-BNGSGONDSA-NSynonyms
956990-35-5(1~(R)5~(S)8~(R)9~(S)12~(R)14~(R))812dimethyl4((4methylpiperazin1yl)methyl)213dioxatetracyclo(7500^(15)0^(1214))tetradecan3one
(1aR1bR4R4aS7R7aS9aR)79adimethyl4((4methylpiperazin1yl)methyl)octahydro1aHoxireno(2378)naphtho(8a1b)furan3(4H)one
16399365
956990355
CN1CCN(CC1)CC1C(=O)O(C@@)23(C@H)1CC(C@H)((C@@H)2CC(C@@)1((C@H)3O1)C)C
InChI=1SC20H32N2O3c113451614(122210821(3)91122)17(23)2420(16)15(13)6719(2)18(20)2519h131618H412H213H3t1314?15+16+181920m1s1
MFCD32650028
ZINC000020411494
ZINC000020411498
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