Vitas-M small molecule compound
3-{[3-(2-oxo-2H-chromen-3-yl)phenyl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL461450
SMILES O=C(N1CC2CC(C1)c1n(C2)c(=O)ccc1)c1cccc(c1)c1cc2ccccc2oc1=O
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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 C27H22N2O4 MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O4/c30-25-10-4-8-23-21-11-17(15-29(23)25)14-28(16-21)26(31)20-7-3-6-18(12-20)22-13-19-5-1-2-9-24(19)33-27(22)32/h1-10,12-13,17,21H,11,14-16H2InChIKey
XMYMUEJXVCUOMX-UHFFFAOYSA-NSynonyms
(1R5S)3(3(2oxo2Hchromen3yl)benzoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3((3(2oxo2Hchromen3yl)phenyl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)C4=CC=CC(=C4)C5=CC6=CC=CC=C6OC5=O
InChI=1SC27H22N2O4c3025104823211117(1529(23)25)1428(1621)26(31)2073618(1220)221319512924(19)3327(22)32h11012131721H111416H2
MFCD12925902
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)c1cccc(c1)c1cc2ccccc2oc1=O
ZINC000012897996
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