Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((4-(4-fluorophenyl)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
STL527648
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)F)[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 C25H33FN2O3 MW 428.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33FN2O3/c1-16-4-3-5-17-14-21-22(23(29)25(16,17)2)20(24(30)31-21)15-27-10-12-28(13-11-27)19-8-6-18(26)7-9-19/h5-9,16,20-23,29H,3-4,10-15H2,1-2H3/t16-,20?,21+,22+,23-,25+/m0/s1InChIKey
CCINPNZGQSKDQW-XPWUERASSA-NSynonyms
1214624-81-3(3S3aS4S4aR5S9aR)3((4(4fluorophenyl)piperazin1yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1214624813
InChI=1SC25H33FN2O3c11643517142122(23(29)25(1617)2)20(24(30)3121)1527101228(131127)198618(26)7919h5916202329H341015H212H3t1620?21+22+2325+m0s1
MFCD32649876
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccc(cc1)F)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000061992818
ZINC000070670115
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