Vitas-M small molecule compound
(1S)-3-[2-hydroxy-2-(5-methoxy-1H-indol-3-yl)ethyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL525915
SMILES COc1ccc2c(c1)c(c[nH]2)C(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O
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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 C22H25N3O3 MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3/c1-28-16-5-6-19-17(8-16)18(9-23-19)21(26)13-24-10-14-7-15(12-24)20-3-2-4-22(27)25(20)11-14/h2-6,8-9,14-15,21,23,26H,7,10-13H2,1H3/t14-,15-,21?/m0/s1InChIKey
ZZDWHMVMVVCQRA-CJUKTHODSA-NSynonyms
(1R5S)3(2hydroxy2(5methoxy1Hindol3yl)ethyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S)3(2hydroxy2(5methoxy1Hindol3yl)ethyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1ccc2c(c1)c(c(nH)2)C(CN1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)O
InChI=1SC22H25N3O3c12816561917(816)18(92319)21(26)13241014715(1224)2032422(27)25(20)1114h26891415212326H71013H21H3t141521?m0s1
ZINC000104052829
ZINC000104052836
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