Vitas-M small molecule compound
(1S,5S)-3-[(6-{[4-(3-chlorobenzyl)piperazin-1-yl]methyl}-5-hydroxy-4-oxo-4H-pyran-2-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL543495
SMILES Clc1cccc(c1)CN1CCN(CC1)Cc1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O
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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 C29H33ClN4O4 MW 537.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33ClN4O4/c30-23-4-1-3-20(12-23)14-31-7-9-32(10-8-31)19-27-29(37)26(35)13-24(38-27)18-33-15-21-11-22(17-33)25-5-2-6-28(36)34(25)16-21/h1-6,12-13,21-22,37H,7-11,14-19H2/t21-,22+/m0/s1InChIKey
KLGWAXFRHBLJDU-FCHUYYIVSA-NSynonyms
(1R5S)3((6((4(3chlorobenzyl)piperazin1yl)methyl)5hydroxy4oxo4Hpyran2yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)onedihydrochloride
(1S5S)3((6((4(3chlorobenzyl)piperazin1yl)methyl)5hydroxy4oxo4Hpyran2yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
Clc1cccc(c1)CN1CCN(CC1)Cc1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1OClCl
InChI=1SC29H33ClN4O4c302341320(1223)14317932(10831)192729(37)26(35)1324(3827)183315211122(1733)2552628(36)34(25)1621h161213212237H7111419H2t2122+m0s1
ZINC001772492651
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