Vitas-M small molecule compound
methyl 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)propanoate
Catalog ID
STL542677
SMILES COC(=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 C30H29N3O6 MW 527.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O6/c1-38-28(36)13-23(19-7-8-24-20(11-19)4-3-9-31-24)30-29(37)26(34)12-22(39-30)17-32-14-18-10-21(16-32)25-5-2-6-27(35)33(25)15-18/h2-9,11-12,18,21,23,37H,10,13-17H2,1H3/t18-,21+,23?/m0/s1InChIKey
FQRDMIHLNOHKGK-ZBUVYOTDSA-NSynonyms
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc2c(c1)cccn2
InChI=1SC30H29N3O6c13828(36)1323(19782420(1119)4393124)3029(37)26(34)1222(3930)173214181021(1632)2552627(35)33(25)1518h29111218212337H101317H21H3t1821+23?m0s1
methyl3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(quinolin6yl)propanoate
methyl3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(quinolin6yl)propanoate
ZINC000225424032
ZINC000225424070
Check stock
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Check stock on Vitas-MAvailable files
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