Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-((4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL003692
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C
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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 C32H38F2N2O3 MW 536.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38F2N2O3/c1-20-4-3-13-31(2)18-26-27(29-32(20,31)39-29)25(30(37)38-26)19-35-14-16-36(17-15-35)28(21-5-9-23(33)10-6-21)22-7-11-24(34)12-8-22/h5-12,20,25-29H,3-4,13-19H2,1-2H3/t20-,25?,26+,27+,29-,31+,32-/m0/s1InChIKey
RVDHJNLNSAIWPS-FTNLFNJPSA-NSynonyms
956933-36-1(1aR2S5aR6aR9S9aR9bS)9((4(bis(4fluorophenyl)methyl)piperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
956933361
CC1CCCC2(C13C(O3)C4C(C2)OC(=O)C4CN5CCN(CC5)C(C6=CC=C(C=C6)F)C7=CC=C(C=C7)F)C
InChI=1SC32H38F2N2O3c120431331(2)182627(2932(2031)3929)25(30(37)3826)1935141636(171535)28(215923(33)10621)2271124(34)12822h512202529H341319H212H3t2025?26+27+2931+32m0s1
MFCD32649599
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000070687871
ZINC000070687874
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.