Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(3-methoxyphenyl)piperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Catalog ID
STL553158
SMILES COc1cccc(c1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C=C1C(=CCC[C@@]1(C2)C)C
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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 C26H34N2O3 MW 422.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O3/c1-18-6-5-9-26(2)16-24-21(15-23(18)26)22(25(29)31-24)17-27-10-12-28(13-11-27)19-7-4-8-20(14-19)30-3/h4,6-8,14-15,21-22,24H,5,9-13,16-17H2,1-3H3/t21-,22?,24-,26-/m1/s1InChIKey
DUJXNMSRDCOORC-VSYJZPKMSA-NSynonyms
957000-54-3(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(3methoxyphenyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(3methoxyphenyl)piperazin1yl)methyl)58adimethyl33a88a99ahexahydronaphtho(23b)furan2(7H)one
16398953
957000543
COc1cccc(c1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C=C1C(=CCC(C@@)1(C2)C)C
InChI=1SC26H34N2O3c11865926(2)162421(1523(18)26)22(25(29)3124)1727101228(131127)1974820(1419)303h4681415212224H59131617H213H3t2122?2426m1s1
ZINC000061997530
ZINC000061997531
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