Vitas-M small molecule compound
3-{3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanoyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL474617
SMILES O=C(N1CC2CC(C1)c1n(C2)c(=O)ccc1)CCc1onc(n1)c1ccncc1
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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 C21H21N5O3 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3/c27-19(5-4-18-23-21(24-29-18)15-6-8-22-9-7-15)25-11-14-10-16(13-25)17-2-1-3-20(28)26(17)12-14/h1-3,6-9,14,16H,4-5,10-13H2InChIKey
JBZFWAZCRXUDFD-UHFFFAOYSA-NSynonyms
(1R5S)3(3(3(pyridin4yl)124oxadiazol5yl)propanoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3(3(3(pyridin4yl)124oxadiazol5yl)propanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)CCC4=NC(=NO4)C5=CC=NC=C5
InChI=1SC21H21N5O3c2719(54182321(242918)1568229715)2511141016(1325)1721320(28)26(17)1214h13691416H451013H2
MFCD31751237
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)CCc1onc(n1)c1ccncc1
ZINC000096115965
Check stock
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