Vitas-M small molecule compound
(1S,5R)-3-[(5-hydroxy-1-methyl-4-oxo-6-{[4-(2-phenoxyethyl)piperazin-1-yl]methyl}-1,4-dihydropyridin-2-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL538823
SMILES O=c1cc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)n(c(c1O)CN1CCN(CC1)CCOc1ccccc1)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 C31H39N5O4 MW 545.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N5O4/c1-32-25(21-35-18-23-16-24(20-35)27-8-5-9-30(38)36(27)19-23)17-29(37)31(39)28(32)22-34-12-10-33(11-13-34)14-15-40-26-6-3-2-4-7-26/h2-9,17,23-24,39H,10-16,18-22H2,1H3/t23-,24+/m0/s1InChIKey
UUHCCWBRDQMOPB-BJKOFHAPSA-NSynonyms
(1R5S)3((5hydroxy1methyl4oxo6((4(2phenoxyethyl)piperazin1yl)methyl)14dihydropyridin2yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((5hydroxy1methyl4oxo6((4(2phenoxyethyl)piperazin1yl)methyl)14dihydropyridin2yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC31H39N5O4c13225(213518231624(2035)2785930(38)36(27)1923)1729(37)31(39)28(32)2234121033(111334)141540266324726h2917232439H10161822H21H3t2324+m0s1
O=c1cc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)n(c(c1O)CN1CCN(CC1)CCOc1ccccc1)C
ZINC000085877933
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