Vitas-M small molecule compound

3-(3-hydroxy-4-oxo-6-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-4H-pyran-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)propanamide

Catalog ID
STL550508
SMILES NC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1cnn(c1)C

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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 C24H27N5O5 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O5/c1-27-11-16(8-26-27)18(7-21(25)31)24-23(33)20(30)6-17(34-24)13-28-9-14-5-15(12-28)19-3-2-4-22(32)29(19)10-14/h2-4,6,8,11,14-15,18,33H,5,7,9-10,12-13H2,1H3,(H2,25,31)/t14-,15+,18?/m1/s1
InChIKey
NDHUFCDUYWGEDX-ZCZZTKKGSA-N
Synonyms

129895498
3(3hydroxy4oxo6(((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)pyran2yl)3(1methylpyrazol4yl)propanamide
3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(1methyl1Hpyrazol4yl)propanamide
3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(1methyl1Hpyrazol4yl)propanamide
InChI=1SC24H27N5O5c1271116(82627)18(721(25)31)2423(33)20(30)617(3424)1328914515(1228)1932422(32)29(19)1014h24681114151833H579101213H21H3(H22531)t1415+18?m1s1
NC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1cnn(c1)C
ZINC000524731191
ZINC000524731192

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.