Vitas-M small molecule compound
(3S,3aR,5R,8aR,9aR)-3-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methyl)-4a-hydroxy-5-methoxy-5,8a-dimethyldecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL562834
SMILES CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CNCCC1=CCCCC1)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 C24H39NO4 MW 405.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H39NO4/c1-22-11-7-12-23(2,28-3)24(22,27)14-18-19(21(26)29-20(18)15-22)16-25-13-10-17-8-5-4-6-9-17/h8,18-20,25,27H,4-7,9-16H2,1-3H3/t18-,19?,20-,22-,23-,24?/m1/s1InChIKey
PXZKKURWIUHBFW-MZHFZWTCSA-NSynonyms
956912-97-3(3aR5R8aR9aR)3((2(cyclohexen1yl)ethylamino)methyl)4ahydroxy5methoxy58adimethyl33a467899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5R8aR9aR)3(((2(cyclohex1en1yl)ethyl)amino)methyl)4ahydroxy5methoxy58adimethyldecahydronaphtho(23b)furan2(3H)one
16398882
956912973
CO(C@)1(C)CCC(C@)2(C1(O)C(C@H)1(C@@H)(C2)OC(=O)C1CNCCC1=CCCCC1)C
InChI=1SC24H39NO4c1221171223(2283)24(2227)141819(21(26)2920(18)1522)16251310178546917h818202527H47916H213H3t1819?20222324?m1s1
ZINC000004046183
ZINC000012661890
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