Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-(thiomorpholinomethyl)-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL526447
SMILES O=C1O[C@H]2[C@@H](C1CN1CCSCC1)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 C19H29NO2S MW 335.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H29NO2S/c1-13-4-3-5-19(2)11-17-14(10-16(13)19)15(18(21)22-17)12-20-6-8-23-9-7-20/h10,13-15,17H,3-9,11-12H2,1-2H3/t13-,14+,15?,17+,19+/m0/s1InChIKey
UREJTNAIOFLZPI-UZRLAVFOSA-NSynonyms
956983-14-5(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))58~(a)dimethyl3(thiomorpholin4ylmethyl)33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)58adimethyl3(thiomorpholinomethyl)33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16396933
956983145
InChI=1SC19H29NO2Sc11343519(2)111714(1016(13)19)15(18(21)2217)122068239720h10131517H391112H212H3t1314+15?17+19+m0s1
MFCD32649834
O=C1O(C@H)2(C@@H)(C1CN1CCSCC1)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000061992797
ZINC000061992798
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