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-(quinolin-6-yl)propanamide
Catalog ID
STL551435
SMILES NC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc2c(c1)cccn2
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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 C29H28N4O5 MW 512.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O5/c30-26(35)12-22(18-6-7-23-19(10-18)3-2-8-31-23)29-28(37)25(34)11-21(38-29)16-32-13-17-9-20(15-32)24-4-1-5-27(36)33(24)14-17/h1-8,10-11,17,20,22,37H,9,12-16H2,(H2,30,35)/t17-,20+,22?/m1/s1InChIKey
MGGRZUZCBPBUFV-QIFHVCNWSA-NSynonyms
129895872
3(3hydroxy4oxo6(((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)pyran2yl)3quinolin6ylpropanamide
3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(quinolin6yl)propanamide
3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(quinolin6yl)propanamide
InChI=1SC29H28N4O5c3026(35)1222(18672319(1018)3283123)2928(37)25(34)1121(3829)16321317920(1532)2441527(36)33(24)1417h18101117202237H91216H2(H23035)t1720+22?m1s1
NC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc2c(c1)cccn2
ZINC000524731842
ZINC000524731843
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.