Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-5,8a-dimethyl-3-((3-methyl-4-(m-tolyl)piperazin-1-yl)methyl)-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Catalog ID
STL553249
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(C(C1)C)c1cccc(c1)C)C=C1[C@](C2)(C)CCC=C1C
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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 C27H36N2O2 MW 420.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O2/c1-18-7-5-9-21(13-18)29-12-11-28(16-20(29)3)17-23-22-14-24-19(2)8-6-10-27(24,4)15-25(22)31-26(23)30/h5,7-9,13-14,20,22-23,25H,6,10-12,15-17H2,1-4H3/t20?,22-,23?,25-,27-/m1/s1InChIKey
CMTQZHTYEISAFS-AUWFBXQXSA-NSynonyms
957020-70-1(3~(a)~(R)8~(a)~(R)9~(a)~(R))58~(a)dimethyl3((3methyl4(3methylphenyl)piperazin1yl)methyl)33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)58adimethyl3((3methyl4(mtolyl)piperazin1yl)methyl)33a88a99ahexahydronaphtho(23b)furan2(7H)one
16404304
957020701
InChI=1SC27H36N2O2c11875921(1318)29121128(1620(29)3)172322142419(2)861027(244)1525(22)3126(23)30h579131420222325H610121517H214H3t20?2223?2527m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(C(C1)C)c1cccc(c1)C)C=C1(C@)(C2)(C)CCC=C1C
ZINC000059415297
ZINC000252693334
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