Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-3-(((3-hydroxypropyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL547023
SMILES OCCCNCC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=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/h13-16,19-20H,1,3-11H2,2H3/t13-,14?,15+,16-,18-/m1/s1InChIKey
PXEBPWGMOBBRIV-SUJZQTJDSA-NSynonyms
956974-26-8(3~(a)~(R)4~(a)~(S)8~(a)~(R)9~(a)~(R))3((3hydroxypropylamino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)3(((3hydroxypropyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16400731
956974268
InChI=1SC18H29NO3c11253618(2)101613(915(12)18)14(17(21)2216)111974820h13161920H1311H22H3t1314?15+1618m1s1
MFCD32650036
OCCCNCC1C(=O)O(C@H)2(C@@H)1C(C@H)1C(=C)CCC(C@@)1(C2)C
ZINC000004073619
ZINC000012865927
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