Vitas-M small molecule compound
(1S,5R)-3-[(2S)-2-phenyl-2-(1H-tetrazol-1-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL544695
SMILES O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)C(=O)[C@@H](n1cnnn1)c1ccccc1
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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 C20H20N6O2 MW 376.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O2/c27-18-8-4-7-17-16-9-14(11-25(17)18)10-24(12-16)20(28)19(26-13-21-22-23-26)15-5-2-1-3-6-15/h1-8,13-14,16,19H,9-12H2/t14-,16+,19-/m0/s1InChIKey
AAAHUMSMAVFIEC-GMBSWORKSA-NSynonyms
(1R5S)3((S)2phenyl2(1Htetrazol1yl)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((2S)2phenyl2(1Htetrazol1yl)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC20H20N6O2c27188471716914(1125(17)18)1024(1216)20(28)19(261321222326)155213615h1813141619H912H2t1416+19m0s1
O=c1cccc2n1C(C@H)1CN(C(C@@H)2C1)C(=O)(C@@H)(n1cnnn1)c1ccccc1
ZINC000225427185
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