Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((2,6-dimethylmorpholino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL533901
SMILES CC1CN(CC(O1)C)CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)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 C21H33NO3 MW 347.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33NO3/c1-13-6-5-7-21(4)9-19-16(8-18(13)21)17(20(23)25-19)12-22-10-14(2)24-15(3)11-22/h8,13-17,19H,5-7,9-12H2,1-4H3/t13-,14?,15?,16+,17?,19+,21+/m0/s1InChIKey
ATYCRKJZBGDSRF-KBGNNYFRSA-NSynonyms
1214633-23-4(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((26dimethylmorpholin4yl)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((26dimethylmorpholino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
1214633234
16404599
CC1CN(CC(O1)C)CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
InChI=1SC21H33NO3c11365721(4)91916(818(13)21)17(20(23)2519)12221014(2)2415(3)1122h8131719H57912H214H3t1314?15?16+17?19+21+m0s1
MFCD32649959
ZINC000020612355
ZINC000020612360
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