Vitas-M small molecule compound
(1aR,4aR,5aR,8S,8aR,9aS)-8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1a,4a-dimethyloctahydro-1aH-oxireno[2',3':4a,5]naphtho[2,3-b]furan-7(8H)-one
Catalog ID
STL541993
SMILES O=C(c1ccco1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C[C@]13O[C@]3(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 C24H32N2O5 MW 428.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N2O5/c1-22-6-4-7-23(2)24(22,31-23)13-16-17(21(28)30-19(16)14-22)15-25-8-10-26(11-9-25)20(27)18-5-3-12-29-18/h3,5,12,16-17,19H,4,6-11,13-15H2,1-2H3/t16-,17?,19-,22-,23-,24+/m1/s1InChIKey
OHCYJPQXQTWFHA-NAPCLHEESA-NSynonyms
956997-87-8(1~(S)3~(R)7~(R)9~(R)13~(R))4((4(furan2carbonyl)piperazin1yl)methyl)913dimethyl614dioxatetracyclo(7500^(113)0^(37))tetradecan5one
(1aR4aR5aR8S8aR9aS)8((4(furan2carbonyl)piperazin1yl)methyl)1a4adimethyloctahydro1aHoxireno(234a5)naphtho(23b)furan7(8H)one
16400338
956997878
InChI=1SC24H32N2O5c12264723(2)24(223123)131617(21(28)3019(16)1422)152581026(11925)20(27)1853122918h3512161719H46111315H212H3t1617?19222324+m1s1
MFCD32650017
O=C(c1ccco1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C(C@)13O(C@)3(C)CCC(C@@)1(C2)C
ZINC000049662140
ZINC000049662143
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