Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-3-(((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)methyl)-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one hydrochloride
Catalog ID
STL565199
SMILES COc1ccc2c(c1)c(CCNCC1C(=O)O[C@H]3[C@@H]1[C@H](O)[C@]1(C(=CCC[C@H]1C)C3)C)c[nH]2
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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 C26H34N2O4 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O4/c1-15-5-4-6-17-11-22-23(24(29)26(15,17)2)20(25(30)32-22)14-27-10-9-16-13-28-21-8-7-18(31-3)12-19(16)21/h6-8,12-13,15,20,22-24,27-29H,4-5,9-11,14H2,1-3H3/t15-,20?,22+,23+,24-,26+/m0/s1InChIKey
BJRTZLZJYHGJHK-VXAKYWBRSA-NSynonyms
(3aS4S4aR5S9aR)4hydroxy3((2(5methoxy1Hindol3yl)ethylamino)methyl)4a5dimethyl33a456799aoctahydrobenzo(f)(1)benzofuran2one
(3S3aS4S4aR5S9aR)4hydroxy3(((2(5methoxy1Hindol3yl)ethyl)amino)methyl)4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)onehydrochloride
131664935
COc1ccc2c(c1)c(CCNCC1C(=O)O(C@H)3(C@@H)1(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C3)C)c(nH)2Cl
InChI=1SC26H34N2O4c11554617112223(24(29)26(1517)2)20(25(30)3222)1427109161328218718(313)1219(16)21h681213152022242729H4591114H213H3t1520?22+23+2426+m0s1
MFCD32651615
ZINC000001820055
ZINC000008762995
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