Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL526923
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(=O)c1ccco1)C=C1[C@](C2)(C)CCC[C@@H]1C
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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 C24H32N2O4 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N2O4/c1-16-5-3-7-24(2)14-21-17(13-19(16)24)18(23(28)30-21)15-25-8-10-26(11-9-25)22(27)20-6-4-12-29-20/h4,6,12-13,16-18,21H,3,5,7-11,14-15H2,1-2H3/t16-,17+,18?,21+,24+/m0/s1InChIKey
MQSZZIBOTGMDJA-WAKXFIDASA-NSynonyms
449797-83-5(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((4(furan2carbonyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((4(furan2carbonyl)piperazin1yl)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16397536
449797835
InChI=1SC24H32N2O4c11653724(2)142117(1319(16)24)18(23(28)3021)152581026(11925)22(27)2064122920h461213161821H357111415H212H3t1617+18?21+24+m0s1
MFCD32649853
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(=O)c1ccco1)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000020112918
ZINC000020112920
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