Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-3-((4-(3,4-dichlorophenyl)piperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL537389
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(c(c1)Cl)Cl)C[C@@H]1[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 C25H32Cl2N2O2 MW 463.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32Cl2N2O2/c1-16-4-3-7-25(2)14-23-18(13-20(16)25)19(24(30)31-23)15-28-8-10-29(11-9-28)17-5-6-21(26)22(27)12-17/h5-6,12,18-20,23H,1,3-4,7-11,13-15H2,2H3/t18-,19?,20+,23-,25-/m1/s1InChIKey
PQXKKJUUOLVXHQ-QBIHTWPYSA-NSynonyms
956939-01-8(3~(a)~(R)4~(a)~(S)8~(a)~(R)9~(a)~(R))3((4(34dichlorophenyl)piperazin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)3((4(34dichlorophenyl)piperazin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16400557
956939018
InChI=1SC25H32Cl2N2O2c11643725(2)142318(1320(16)25)19(24(30)3123)152881029(11928)175621(26)22(27)1217h5612182023H1347111315H22H3t1819?20+2325m1s1
MFCD32649998
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccc(c(c1)Cl)Cl)C(C@@H)1(C@)(C2)(C)CCCC1=C
ZINC000059415258
ZINC000061997596
Check stock
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