Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-benzhydrylpiperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Catalog ID
STL553455
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)C=C1[C@](C2)(C)CCC=C1C
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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 C32H38N2O2 MW 482.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N2O2/c1-23-10-9-15-32(2)21-29-26(20-28(23)32)27(31(35)36-29)22-33-16-18-34(19-17-33)30(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-8,10-14,20,26-27,29-30H,9,15-19,21-22H2,1-2H3/t26-,27?,29-,32-/m1/s1InChIKey
MFRKKZWZFLPJOP-DTYXYBFCSA-NSynonyms
956975-99-8(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4benzhydrylpiperazin1yl)methyl)58~(a)dimethyl33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4benzhydrylpiperazin1yl)methyl)58adimethyl33a88a99ahexahydronaphtho(23b)furan2(7H)one
16397091
956975998
InChI=1SC32H38N2O2c1231091532(2)212926(2028(23)32)27(31(35)3629)2233161834(191733)30(24115361224)25137481425h3810142026272930H915192122H212H3t2627?2932m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)C=C1(C@)(C2)(C)CCC=C1C
ZINC000019370134
ZINC000020112197
Check stock
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