Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((3-hydroxypropyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL549147
SMILES OCCCNCC1C(=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 C18H29NO3 MW 307.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H29NO3/c1-12-5-3-6-18(2)10-16-13(9-15(12)18)14(17(21)22-16)11-19-7-4-8-20/h9,12-14,16,19-20H,3-8,10-11H2,1-2H3/t12-,13+,14?,16+,18+/m0/s1InChIKey
WZTMASUKMOOXHW-ULBSUTOKSA-NSynonyms
956946-11-5(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((3hydroxypropylamino)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((3hydroxypropyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16400869
956946115
InChI=1SC18H29NO3c11253618(2)101613(915(12)18)14(17(21)2216)111974820h91214161920H381011H212H3t1213+14?16+18+m0s1
MFCD32650057
OCCCNCC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
ZINC000004073746
ZINC000012866630
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