Vitas-M small molecule compound
5-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-2-phenyl-1,3-oxazole-4-carbonitrile
Catalog ID
STL535863
SMILES N#Cc1nc(oc1N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)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 C21H18N4O2 MW 358.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O2/c22-10-17-21(27-20(23-17)15-5-2-1-3-6-15)24-11-14-9-16(13-24)18-7-4-8-19(26)25(18)12-14/h1-8,14,16H,9,11-13H2/t14-,16+/m0/s1InChIKey
PUPYVQUSVVSGTA-GOEBONIOSA-NSynonyms
5((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)2phenyloxazole4carbonitrile
5((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)2phenyl13oxazole4carbonitrile
InChI=1SC21H18N4O2c22101721(2720(2317)155213615)241114916(1324)1874819(26)25(18)1214h181416H91113H2t1416+m0s1
MFCD12029998
N#Cc1nc(oc1N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)c1ccccc1
ZINC000032123876
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