Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-8a-methyl-5-methylene-3-(thiomorpholinomethyl)decahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL526156
SMILES O=C1O[C@H]2[C@@H](C1CN1CCSCC1)CC1[C@](C2)(C)CCCC1=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/h14-17H,1,3-12H2,2H3/t14-,15?,16?,17-,19-/m1/s1InChIKey
ZCCNWNMIFSQHGL-KZZPEHCYSA-NSynonyms
956949-24-9(3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene3(thiomorpholin4ylmethyl)3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)8amethyl5methylene3(thiomorpholinomethyl)decahydronaphtho(23b)furan2(3H)one
16397266
956949249
InChI=1SC19H29NO2Sc11343519(2)111714(1016(13)19)15(18(21)2217)122068239720h1417H1312H22H3t1415?16?1719m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCSCC1)CC1(C@)(C2)(C)CCCC1=C
ZINC000061992882
ZINC000061992885
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