Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-((4-(3,4-dichlorophenyl)piperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL003991
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(c(c1)Cl)Cl)[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 C25H32Cl2N2O3 MW 479.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32Cl2N2O3/c1-15-4-3-7-24(2)13-20-21(22-25(15,24)32-22)17(23(30)31-20)14-28-8-10-29(11-9-28)16-5-6-18(26)19(27)12-16/h5-6,12,15,17,20-22H,3-4,7-11,13-14H2,1-2H3/t15-,17?,20+,21+,22-,24+,25-/m0/s1InChIKey
QNAZEXBNVJKWBQ-SXTZONQXSA-NSynonyms
956951-43-2(1aR2S5aR6aR9S9aR9bS)9((4(34dichlorophenyl)piperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
956951432
CC1CCCC2(C13C(O3)C4C(C2)OC(=O)C4CN5CCN(CC5)C6=CC(=C(C=C6)Cl)Cl)C
InChI=1SC25H32Cl2N2O3c11543724(2)132021(2225(1524)3222)17(23(30)3120)142881029(11928)165618(26)19(27)1216h561215172022H347111314H212H3t1517?20+21+2224+25m0s1
MFCD32649601
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccc(c(c1)Cl)Cl)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000059415240
ZINC000061997580
Check stock
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Check stock on Vitas-MAvailable files
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