Vitas-M small molecule compound

(1S,5R)-3-[3-(4-chlorophenyl)-4-(1H-tetrazol-1-yl)butanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL539908
SMILES Clc1ccc(cc1)C(CC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cn1cnnn1

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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 C22H23ClN6O2 MW 438.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN6O2/c23-19-6-4-16(5-7-19)17(13-28-14-24-25-26-28)9-22(31)27-10-15-8-18(12-27)20-2-1-3-21(30)29(20)11-15/h1-7,14-15,17-18H,8-13H2/t15-,17?,18+/m0/s1
InChIKey
QSQITBCOURJRGD-DKKDMOBXSA-N
Synonyms

(1R5S)3(3(4chlorophenyl)4(1Htetrazol1yl)butanoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(3(4chlorophenyl)4(1Htetrazol1yl)butanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
Clc1ccc(cc1)C(CC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cn1cnnn1
InChI=1SC22H23ClN6O2c23196416(5719)17(13281424252628)922(31)271015818(1227)2021321(30)29(20)1115h1714151718H813H2t1517?18+m0s1
ZINC000096114460
ZINC000096114461

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Available files

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