Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-5,8a-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Catalog ID
STL553437
SMILES O=C1O[C@H]2[C@@H](C1CN1CCCC1)C=C1[C@](C2)(C)CCC=C1C
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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 C19H27NO2 MW 301.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27NO2/c1-13-6-5-7-19(2)11-17-14(10-16(13)19)15(18(21)22-17)12-20-8-3-4-9-20/h6,10,14-15,17H,3-5,7-9,11-12H2,1-2H3/t14-,15?,17-,19-/m1/s1InChIKey
DCJBMWWPSZAUKA-PQACXDNCSA-NSynonyms
956931-27-4(3~(a)~(R)8~(a)~(R)9~(a)~(R))58~(a)dimethyl3(pyrrolidin1ylmethyl)33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)58adimethyl3(pyrrolidin1ylmethyl)33a88a99ahexahydronaphtho(23b)furan2(7H)one
16397009
956931274
InChI=1SC19H27NO2c11365719(2)111714(1016(13)19)15(18(21)2217)1220834920h610141517H35791112H212H3t1415?1719m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCCC1)C=C1(C@)(C2)(C)CCC=C1C
ZINC000000526777
ZINC000004028543
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