Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one hydrochloride
Catalog ID
STL553183
SMILES O=C1O[C@H]2[C@@H](C1C[NH+]1CCN(CC1)c1cccc(c1)C(F)(F)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 C26H34F3N2O3 MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33F3N2O3/c1-16-5-3-6-17-14-21-22(23(32)25(16,17)2)20(24(33)34-21)15-30-9-11-31(12-10-30)19-8-4-7-18(13-19)26(27,28)29/h4,6-8,13,16,20-23,32H,3,5,9-12,14-15H2,1-2H3/p+1/t16-,20?,21+,22+,23-,25+/m0/s1InChIKey
ACXRFOZINXTJCC-XPWUERASSA-OSynonyms
InChI=1SC26H33F3N2O3c11653617142122(23(32)25(1617)2)20(24(33)3421)153091131(121030)1984718(1319)26(2728)29h4681316202332H359121415H212H3p+1t1620?21+22+2325+m0s1
ZINC000061997535
ZINC000070680751
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