Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((4-(3-chlorophenyl)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
STL527566
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)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 C25H33ClN2O3 MW 445.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33ClN2O3/c1-16-5-3-6-17-13-21-22(23(29)25(16,17)2)20(24(30)31-21)15-27-9-11-28(12-10-27)19-8-4-7-18(26)14-19/h4,6-8,14,16,20-23,29H,3,5,9-13,15H2,1-2H3/t16-,20?,21+,22+,23-,25+/m0/s1InChIKey
HXHILYRRLVJUGI-XPWUERASSA-NSynonyms
1214622-68-0(3S3aS4S4aR5S9aR)3((4(3chlorophenyl)piperazin1yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1214622680
InChI=1SC25H33ClN2O3c11653617132122(23(29)25(1617)2)20(24(30)3121)152791128(121027)1984718(26)1419h4681416202329H3591315H212H3t1620?21+22+2325+m0s1
MFCD32649868
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cccc(c1)Cl)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000061992823
ZINC000070670116
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