Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-3-((4-(hydroxydiphenylmethyl)piperidin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL564651
SMILES O=C1O[C@H]2[C@@H](C1CN1CC[C@H](CC1)C(c1ccccc1)(c1ccccc1)O)C[C@@H]1[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 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/h3-8,11-14,26-30,36H,1,9-10,15-22H2,2H3/t27-,28?,29+,30-,32-/m1/s1InChIKey
OLOFWUNVOSMYMV-PFWDUPRISA-NSynonyms
956925-24-9(3aR4aS8aR9aR)3((4(hydroxy(diphenyl)methyl)piperidin1yl)methyl)8amethyl5methylidene3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)3((4(hydroxydiphenylmethyl)piperidin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16396129
956925249
InChI=1SC33H41NO3c1231091732(2)213027(2029(23)32)28(31(35)3730)2234181526(161934)33(3624115361224)25137481425h381114263036H19101522H22H3t2728?29+3032m1s1
MFCD32651528
O=C1O(C@H)2(C@@H)(C1CN1CC(C@H)(CC1)C(c1ccccc1)(c1ccccc1)O)C(C@@H)1(C@)(C2)(C)CCCC1=C
ZINC000012657575
ZINC000012657578
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