Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((4-(5-chloro-2-methylphenyl)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
STL529625
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cc(Cl)ccc1C)[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 C26H35ClN2O3 MW 459.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35ClN2O3/c1-16-7-8-19(27)14-21(16)29-11-9-28(10-12-29)15-20-23-22(32-25(20)31)13-18-6-4-5-17(2)26(18,3)24(23)30/h6-8,14,17,20,22-24,30H,4-5,9-13,15H2,1-3H3/t17-,20?,22+,23+,24-,26+/m0/s1InChIKey
AQMMEIYJVYEMNA-NOFUTGHWSA-NSynonyms
1212451-94-9(3S3aS4S4aR5S9aR)3((4(5chloro2methylphenyl)piperazin1yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212451949
InChI=1SC26H35ClN2O3c1167819(27)1421(16)2911928(101229)15202322(3225(20)31)131864517(2)26(183)24(23)30h68141720222430H4591315H213H3t1720?22+23+2426+m0s1
MFCD32649905
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cc(Cl)ccc1C)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000049626724
ZINC000070681018
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