Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-((4-(hydroxydiphenylmethyl)piperidin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL534813
SMILES O=C1O[C@H]2[C@@H](C1CN1CC[C@H](CC1)C(c1ccccc1)(c1ccccc1)O)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C
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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 C33H41NO4 MW 515.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41NO4/c1-22-10-9-17-31(2)20-27-28(29-33(22,31)38-29)26(30(35)37-27)21-34-18-15-25(16-19-34)32(36,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,22,25-29,36H,9-10,15-21H2,1-2H3/t22-,26?,27+,28+,29-,31+,33-/m0/s1InChIKey
KEAJPYUYLCEFRT-ACXNPFEUSA-NSynonyms
956999-08-9(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5((4(hydroxy(diphenyl)methyl)piperidin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9((4(hydroxydiphenylmethyl)piperidin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
16403882
956999089
InChI=1SC33H41NO4c1221091731(2)202728(2933(2231)3829)26(30(35)3727)2134181525(161934)32(3623115361223)24137481424h38111422252936H9101521H212H3t2226?27+28+2931+33m0s1
MFCD32649987
O=C1O(C@H)2(C@@H)(C1CN1CC(C@H)(CC1)C(c1ccccc1)(c1ccccc1)O)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000070699593
ZINC000070699595
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.