Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-((4-(pyrimidin-2-yl)piperazin-1-yl)methyl)-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL531938
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ncccn1)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 C23H32N4O2 MW 396.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N4O2/c1-16-5-3-6-23(2)14-20-17(13-19(16)23)18(21(28)29-20)15-26-9-11-27(12-10-26)22-24-7-4-8-25-22/h4,7-8,13,16-18,20H,3,5-6,9-12,14-15H2,1-2H3/t16-,17+,18?,20+,23+/m0/s1InChIKey
QMXFHCWSZYVELT-NTWLUJQWSA-NSynonyms
956820-08-9(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))58~(a)dimethyl3((4pyrimidin2ylpiperazin1yl)methyl)33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)58adimethyl3((4(pyrimidin2yl)piperazin1yl)methyl)33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16405119
956820089
InChI=1SC23H32N4O2c11653623(2)142017(1319(16)23)18(21(28)2920)152691127(121026)22247482522h47813161820H3569121415H212H3t1617+18?20+23+m0s1
MFCD32649933
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ncccn1)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000061999454
ZINC000061999456
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