Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL526841
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(=O)c1ccco1)CC1[C@](C2)(C)CCCC1=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 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/h4,6,12,17-19,21H,1,3,5,7-11,13-15H2,2H3/t17-,18?,19?,21-,24-/m1/s1InChIKey
VOSKLAZEFVHLSS-HREAJGOWSA-NSynonyms
452920-51-3(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(furan2carbonyl)piperazin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(furan2carbonyl)piperazin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16397519
452920513
InChI=1SC24H32N2O4c11653724(2)142117(1319(16)24)18(23(28)3021)152581026(11925)22(27)2064122920h4612171921H1357111315H22H3t1718?19?2124m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(=O)c1ccco1)CC1(C@)(C2)(C)CCCC1=C
ZINC000049604877
ZINC000049604880
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