Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-((4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL003682
SMILES Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1[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 C32H39ClN2O3 MW 535.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39ClN2O3/c1-21-7-6-14-31(2)19-26-27(29-32(21,31)38-29)25(30(36)37-26)20-34-15-17-35(18-16-34)28(22-8-4-3-5-9-22)23-10-12-24(33)13-11-23/h3-5,8-13,21,25-29H,6-7,14-20H2,1-2H3/t21-,25?,26+,27+,28?,29-,31+,32-/m0/s1InChIKey
HRHAUIBJENZANL-XFDKNOSISA-NSynonyms
956990-76-4(1aR2S5aR6aR9S9aR9bS)9((4((4chlorophenyl)(phenyl)methyl)piperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
956990764
CC1CCCC2(C13C(O3)C4C(C2)OC(=O)C4CN5CCN(CC5)C(C6=CC=CC=C6)C7=CC=C(C=C7)Cl)C
Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
InChI=1SC32H39ClN2O3c121761431(2)192627(2932(2131)3829)25(30(36)3726)2034151735(181634)28(228435922)23101224(33)131123h35813212529H671420H212H3t2125?26+27+28?2931+32m0s1
MFCD32649598
ZINC000070687690
ZINC000070687698
Check stock
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Check stock on Vitas-MAvailable files
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