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-{3-methoxy-2-[(2-methylprop-2-en-1-yl)oxy]phenyl}propanamide

Catalog ID
STL551595
SMILES COc1cccc(c1OCC(=C)C)C(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(=O)N

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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 C31H35N3O7 MW 561.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O7/c1-18(2)17-40-30-22(6-4-8-26(30)39-3)23(12-27(32)36)31-29(38)25(35)11-21(41-31)16-33-13-19-10-20(15-33)24-7-5-9-28(37)34(24)14-19/h4-9,11,19-20,23,38H,1,10,12-17H2,2-3H3,(H2,32,36)/t19-,20+,23?/m1/s1
InChIKey
FYSBNTWTZBNNSQ-ZCQKWSGTSA-N
Synonyms

129894802
3(3hydroxy4oxo6(((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)pyran2yl)3(3methoxy2(2methylprop2enoxy)phenyl)propanamide
3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(3methoxy2((2methylallyl)oxy)phenyl)propanamide
3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(3methoxy2((2methylprop2en1yl)oxy)phenyl)propanamide
COc1cccc(c1OCC(=C)C)C(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(=O)N
InChI=1SC31H35N3O7c118(2)17403022(64826(30)393)23(1227(32)36)3129(38)25(35)1121(4131)163313191020(1533)2475928(37)34(24)1419h491119202338H1101217H223H3(H23236)t1920+23?m1s1
ZINC000524729144
ZINC000524729145

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Available files

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