Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((4-(3,4-dichlorophenyl)piperazin-1-yl)methyl)-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL540008
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(c(c1)Cl)Cl)[C@H](O)[C@]1(C(=CCC[C@H]1C)C2)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 C25H32Cl2N2O3 MW 479.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32Cl2N2O3/c1-15-4-3-5-16-12-21-22(23(30)25(15,16)2)18(24(31)32-21)14-28-8-10-29(11-9-28)17-6-7-19(26)20(27)13-17/h5-7,13,15,18,21-23,30H,3-4,8-12,14H2,1-2H3/t15-,18?,21+,22+,23-,25+/m0/s1InChIKey
XJBYWFYXIAOOJI-YYWHJOQISA-NSynonyms
1212446-63-3(3S3aS4S4aR5S9aR)3((4(34dichlorophenyl)piperazin1yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212446633
InChI=1SC25H32Cl2N2O3c11543516122122(23(30)25(1516)2)18(24(31)3221)142881029(11928)176719(26)20(27)1317h57131518212330H3481214H212H3t1518?21+22+2325+m0s1
MFCD32650002
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccc(c(c1)Cl)Cl)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000061997558
ZINC000070681142
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