Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((2-(hydroxydiphenylmethyl)pyrrolidin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL565536
SMILES O=C1O[C@H]2[C@@H](C1CN1CCCC1C(c1ccccc1)(c1ccccc1)O)CC1[C@](C2)(C)CCCC1=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 C32H39NO3 MW 485.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39NO3/c1-22-11-9-17-31(2)20-28-25(19-27(22)31)26(30(34)36-28)21-33-18-10-16-29(33)32(35,23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-8,12-15,25-29,35H,1,9-11,16-21H2,2H3/t25-,26?,27?,28-,29?,31-/m1/s1InChIKey
XLALVLYSXISYON-BGLFXZBVSA-NSynonyms
1212429-52-1(3aR8aR9aR)3((2(hydroxy(diphenyl)methyl)pyrrolidin1yl)methyl)8amethyl5methylidene3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((2(hydroxydiphenylmethyl)pyrrolidin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
1212429521
16405148
InChI=1SC32H39NO3c1221191731(2)202825(1927(22)31)26(30(34)3628)213318101629(33)32(3523125361323)24147481524h381215252935H19111621H22H3t2526?27?2829?31m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCCC1C(c1ccccc1)(c1ccccc1)O)CC1(C@)(C2)(C)CCCC1=C
ZINC000008791302
ZINC000252695263
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