Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(hydroxydiphenylmethyl)piperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL527160
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(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 C32H40N2O3 MW 500.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N2O3/c1-23-10-9-15-31(2)21-29-26(20-28(23)31)27(30(35)37-29)22-33-16-18-34(19-17-33)32(36,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-8,11-14,26-29,36H,1,9-10,15-22H2,2H3/t26-,27?,28?,29-,31-/m1/s1InChIKey
PYKVYGKLIKJSNV-AGNWDVSSSA-NSynonyms
957015-39-3(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(hydroxy(diphenyl)methyl)piperazin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(hydroxydiphenylmethyl)piperazin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16397740
957015393
InChI=1SC32H40N2O3c1231091531(2)212926(2028(23)31)27(30(35)3729)2233161834(191733)32(3624115361224)25137481425h381114262936H19101522H22H3t2627?28?2931m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(c1ccccc1)(c1ccccc1)O)CC1(C@)(C2)(C)CCCC1=C
ZINC000020113331
ZINC000020113337
Check stock
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