Vitas-M small molecule compound
4-[1-(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-methoxy-3-oxopropyl]phenyl 4-methoxybenzoate
Catalog ID
STL543797
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc(cc1)OC(=O)c1ccc(cc1)OC
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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 C35H34N2O9 MW 626.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34N2O9/c1-43-25-10-8-23(9-11-25)35(42)46-26-12-6-22(7-13-26)28(16-32(40)44-2)34-33(41)30(38)15-27(45-34)20-36-17-21-14-24(19-36)29-4-3-5-31(39)37(29)18-21/h3-13,15,21,24,28,41H,14,16-20H2,1-2H3/t21-,24+,28?/m0/s1InChIKey
GBSXVGGRNHQIQM-MJONQXIMSA-NSynonyms
4(1(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3methoxy3oxopropyl)phenyl4methoxybenzoate
4(1(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3methoxy3oxopropyl)phenyl4methoxybenzoate
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc(cc1)OC(=O)c1ccc(cc1)OC
InChI=1SC35H34N2O9c1432510823(91125)35(42)462612622(71326)28(1632(40)442)3433(41)30(38)1527(4534)203617211424(1936)2943531(39)37(29)1821h3131521242841H141620H212H3t2124+28?m0s1
ZINC000225413494
ZINC000225413543
Check stock
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