Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((4-(3,4-dichlorophenyl)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
STL537950
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(c(c1)Cl)Cl)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 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/h5-6,12-13,16,18-19,23H,3-4,7-11,14-15H2,1-2H3/t16-,18+,19?,23+,25+/m0/s1InChIKey
GSMYBZVVBLIYIV-OYEGVEMZSA-NSynonyms
956933-34-9(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((4(34dichlorophenyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((4(34dichlorophenyl)piperazin1yl)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16400629
956933349
InChI=1SC25H32Cl2N2O2c11643725(2)142318(1320(16)25)19(24(30)3123)152881029(11928)175621(26)22(27)1217h56121316181923H347111415H212H3t1618+19?23+25+m0s1
MFCD32650000
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccc(c(c1)Cl)Cl)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000059415263
ZINC000061997599
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