Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-5,8a-dimethyl-3-(thiomorpholinomethyl)-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL553436
SMILES O=C1O[C@H]2[C@@H](C1CN1CCSCC1)CC1=C(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 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/h14-15,17H,3-12H2,1-2H3/t14-,15?,17-,19-/m1/s1InChIKey
KKBQRPDZWUMLQT-PQACXDNCSA-NSynonyms
957047-69-7(3~(a)~(R)8~(a)~(R)9~(a)~(R))58~(a)dimethyl3(thiomorpholin4ylmethyl)33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)58adimethyl3(thiomorpholinomethyl)3a46788a99aoctahydronaphtho(23b)furan2(3H)one
16400349
957047697
InChI=1SC19H29NO2Sc11343519(2)111714(1016(13)19)15(18(21)2217)122068239720h141517H312H212H3t1415?1719m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCSCC1)CC1=C(C)CCC(C@@)1(C2)C
ZINC000061997590
ZINC000061997591
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