Vitas-M small molecule compound
4-(4-(((3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-2-oxo-2,3,3a,4,4a,5,6,7,9,9a-decahydronaphtho[2,3-b]furan-3-yl)methyl)piperazin-1-yl)benzonitrile
Catalog ID
STL530938
SMILES N#Cc1ccc(cc1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1[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 C26H33N3O3 MW 435.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O3/c1-17-4-3-5-19-14-22-23(24(30)26(17,19)2)21(25(31)32-22)16-28-10-12-29(13-11-28)20-8-6-18(15-27)7-9-20/h5-9,17,21-24,30H,3-4,10-14,16H2,1-2H3/t17-,21?,22+,23+,24-,26+/m0/s1InChIKey
YOBKNLPGHFIFPD-QDLSVZDDSA-NSynonyms
1212467-78-11212467781
4(4(((3S3aS4S4aR5S9aR)4hydroxy4a5dimethyl2oxo233a44a56799adecahydronaphtho(23b)furan3yl)methyl)piperazin1yl)benzonitrile
InChI=1SC26H33N3O3c11743519142223(24(30)26(1719)2)21(25(31)3222)1628101229(131128)208618(1527)7920h5917212430H34101416H212H3t1721?22+23+2426+m0s1
MFCD32649920
N#Cc1ccc(cc1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000061997543
ZINC000070680907
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