Vitas-M small molecule compound
2-[4-(benzyloxy)phenyl]-5-(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
STL511944
SMILES N#Cc1nc(oc1N1CC2CC(C1)c1n(C2)c(=O)ccc1)c1ccc(cc1)OCc1ccccc1
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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 C28H24N4O3 MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O3/c29-14-24-28(31-15-20-13-22(17-31)25-7-4-8-26(33)32(25)16-20)35-27(30-24)21-9-11-23(12-10-21)34-18-19-5-2-1-3-6-19/h1-12,20,22H,13,15-18H2InChIKey
GXOUPBMTKCCJCA-UHFFFAOYSA-NSynonyms
2(4(benzyloxy)phenyl)5((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)oxazole4carbonitrile
2(4(benzyloxy)phenyl)5(8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)13oxazole4carbonitrile
5(6oxo711diazatricyclo(7310^(27))trideca24dien11yl)2(4phenylmethoxyphenyl)13oxazole4carbonitrile
85510968
InChI=1SC28H24N4O3c29142428(3115201322(1731)2574826(33)32(25)1620)3527(3024)2191123(121021)3418195213619h1122022H131518H2
MFCD31751576
N#Cc1nc(oc1N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)c1ccc(cc1)OCc1ccccc1
ZINC000032124273
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