Vitas-M small molecule compound
(1S,5S)-3-{2-hydroxy-3-[(2-methoxyphenyl)amino]propyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL525418
SMILES COc1ccccc1NCC(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 C21H27N3O3 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3/c1-27-20-7-3-2-5-18(20)22-10-17(25)14-23-11-15-9-16(13-23)19-6-4-8-21(26)24(19)12-15/h2-8,15-17,22,25H,9-14H2,1H3/t15-,16+,17?/m0/s1InChIKey
WNPDCBLIYPCVOV-RTKIROINSA-NSynonyms
(1R5S)3(2hydroxy3((2methoxyphenyl)amino)propyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5S)3(2hydroxy3((2methoxyphenyl)amino)propyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1ccccc1NCC(CN1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)O
InChI=1SC21H27N3O3c12720732518(20)221017(25)14231115916(1323)1964821(26)24(19)1215h2815172225H914H21H3t1516+17?m0s1
MFCD01549101
ZINC000002109473
ZINC000002109474
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