Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((3,3-dimethylpiperidin-1-yl)methyl)-5,8a-dimethyl-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Catalog ID
STL553474
SMILES O=C1O[C@H]2[C@@H](C1CN1CCCC(C1)(C)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 C22H33NO2 MW 343.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H33NO2/c1-15-7-5-9-22(4)12-19-16(11-18(15)22)17(20(24)25-19)13-23-10-6-8-21(2,3)14-23/h7,11,16-17,19H,5-6,8-10,12-14H2,1-4H3/t16-,17?,19-,22-/m1/s1InChIKey
MWMPYXXDHZQTTO-MLIYGGRHSA-NSynonyms
956953-27-8(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((33dimethylpiperidin1yl)methyl)58~(a)dimethyl33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((33dimethylpiperidin1yl)methyl)58adimethyl33a88a99ahexahydronaphtho(23b)furan2(7H)one
16396950
956953278
InChI=1SC22H33NO2c11575922(4)121916(1118(15)22)17(20(24)2519)1323106821(23)1423h711161719H568101214H214H3t1617?1922m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCCC(C1)(C)C)C=C1(C@)(C2)(C)CCC=C1C
ZINC000004028446
ZINC000005903517
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