Vitas-M small molecule compound
2-(4-chlorophenyl)-5-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-1,3-oxazole-4-carbonitrile
Catalog ID
STL535870
SMILES N#Cc1nc(oc1N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)c1ccc(cc1)Cl
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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 C21H17ClN4O2 MW 392.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O2/c22-16-6-4-14(5-7-16)20-24-17(9-23)21(28-20)25-10-13-8-15(12-25)18-2-1-3-19(27)26(18)11-13/h1-7,13,15H,8,10-12H2/t13-,15+/m0/s1InChIKey
AJJSEXYYIIRLHN-DZGCQCFKSA-NSynonyms
2(4chlorophenyl)5((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)oxazole4carbonitrile
2(4chlorophenyl)5((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)13oxazole4carbonitrile
InChI=1SC21H17ClN4O2c22166414(5716)202417(923)21(2820)251013815(1225)1821319(27)26(18)1113h171315H81012H2t1315+m0s1
MFCD12030335
N#Cc1nc(oc1N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)c1ccc(cc1)Cl
ZINC000032124289
Check stock
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