Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((4-((4-chlorophenyl)(phenyl)methyl)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
STL542089
SMILES Clc1ccc(cc1)C(c1ccccc1)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 C32H39ClN2O3 MW 535.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39ClN2O3/c1-21-7-6-10-24-19-27-28(30(36)32(21,24)2)26(31(37)38-27)20-34-15-17-35(18-16-34)29(22-8-4-3-5-9-22)23-11-13-25(33)14-12-23/h3-5,8-14,21,26-30,36H,6-7,15-20H2,1-2H3/t21-,26?,27+,28+,29?,30-,32+/m0/s1InChIKey
FGXQERORDNVKRX-MXCHWDNGSA-NSynonyms
1212433-17-4(3S3aS4S4aR5S9aR)3((4((4chlorophenyl)(phenyl)methyl)piperazin1yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212433174
Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
InChI=1SC32H39ClN2O3c121761024192728(30(36)32(2124)2)26(31(37)3827)2034151735(181634)29(228435922)23111325(33)141223h3581421263036H671520H212H3t2126?27+28+29?3032+m0s1
MFCD32650019
ZINC000036369522
ZINC000070681042
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