Vitas-M small molecule compound
2-[(E)-2-(3-methoxyphenyl)ethenyl]-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
STL511953
SMILES COc1cccc(c1)/C=C/c1nc(c(o1)N1CC2CC(C1)c1n(C2)c(=O)ccc1)C#N
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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 C24H22N4O3 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3/c1-30-19-5-2-4-16(11-19)8-9-22-26-20(12-25)24(31-22)27-13-17-10-18(15-27)21-6-3-7-23(29)28(21)14-17/h2-9,11,17-18H,10,13-15H2,1H3/b9-8+InChIKey
JIOPSZRRPNIZIQ-CMDGGOBGSA-NSynonyms
135637824
2((~(E))2(3methoxyphenyl)ethenyl)5(6oxo711diazatricyclo(7310^(27))trideca24dien11yl)13oxazole4carbonitrile
2((E)2(3methoxyphenyl)ethenyl)5(8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)13oxazole4carbonitrile
2((E)3methoxystyryl)5((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)oxazole4carbonitrile
COc1cccc(c1)C=Cc1nc(c(o1)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C#N
InChI=1SC24H22N4O3c1301952416(1119)89222620(1225)24(3122)2713171018(1527)2163723(29)28(21)1417h29111718H101315H21H3b98+
MFCD31751585
ZINC000032123790
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