Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((4-(5-chloro-2-methylphenyl)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
STL526185
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cc(Cl)ccc1C)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 C26H35ClN2O2 MW 443.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35ClN2O2/c1-17-5-4-8-26(3)15-24-20(14-22(17)26)21(25(30)31-24)16-28-9-11-29(12-10-28)23-13-19(27)7-6-18(23)2/h6-7,13-14,17,20-21,24H,4-5,8-12,15-16H2,1-3H3/t17-,20+,21?,24+,26+/m0/s1InChIKey
RSUMDFBTCAAZNY-PXRZHAMJSA-NSynonyms
956931-52-5(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((4(5chloro2methylphenyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((4(5chloro2methylphenyl)piperazin1yl)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16397060
956931525
InChI=1SC26H35ClN2O2c11754826(3)152420(1422(17)26)21(25(30)3124)162891129(121028)231319(27)7618(23)2h67131417202124H458121516H213H3t1720+21?24+26+m0s1
MFCD32649820
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cc(Cl)ccc1C)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000059409663
ZINC000061992842
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