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-[4-(octyloxy)phenyl]propanoate
Catalog ID
STL544540
SMILES CCCCCCCCOc1ccc(cc1)C(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(=O)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 C35H44N2O7 MW 604.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H44N2O7/c1-3-4-5-6-7-8-16-43-27-14-12-25(13-15-27)29(19-33(40)42-2)35-34(41)31(38)18-28(44-35)23-36-20-24-17-26(22-36)30-10-9-11-32(39)37(30)21-24/h9-15,18,24,26,29,41H,3-8,16-17,19-23H2,1-2H3/t24-,26+,29?/m0/s1InChIKey
PAUJHKJHBSBARW-OFVILPMDSA-NSynonyms
CCCCCCCCOc1ccc(cc1)C(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(=O)OC
InChI=1SC35H44N2O7c1345678164327141225(131527)29(1933(40)422)3534(41)31(38)1828(4435)233620241726(2236)301091132(39)37(30)2124h9151824262941H3816171923H212H3t2426+29?m0s1
methyl3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(4(octyloxy)phenyl)propanoate
methyl3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(4(octyloxy)phenyl)propanoate
ZINC000225411244
ZINC000225411287
Check stock
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Check stock on Vitas-MAvailable files
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