Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((4-(hydroxydiphenylmethyl)piperidin-1-yl)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL525261
SMILES O=C1O[C@H]2[C@@H](C1CN1CC[C@H](CC1)C(c1ccccc1)(c1ccccc1)O)C=C1[C@](C2)(C)CCC[C@@H]1C
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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 C33H41NO3 MW 499.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41NO3/c1-23-10-9-17-32(2)21-30-27(20-29(23)32)28(31(35)37-30)22-34-18-15-26(16-19-34)33(36,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-8,11-14,20,23,26-28,30,36H,9-10,15-19,21-22H2,1-2H3/t23-,27+,28?,30+,32+/m0/s1InChIKey
VIDORUDOYZRQID-AZKOYADJSA-NSynonyms
308797-68-4(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((4(hydroxy(diphenyl)methyl)piperidin1yl)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((4(hydroxydiphenylmethyl)piperidin1yl)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16398497
308797684
InChI=1SC33H41NO3c1231091732(2)213027(2029(23)32)28(31(35)3730)2234181526(161934)33(3624115361224)25137481425h381114202326283036H91015192122H212H3t2327+28?30+32+m0s1
MFCD32649796
O=C1O(C@H)2(C@@H)(C1CN1CC(C@H)(CC1)C(c1ccccc1)(c1ccccc1)O)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000012661711
ZINC000012661712
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