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-methoxyphenyl)propanoate
Catalog ID
STL544634
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)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 C28H30N2O7 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O7/c1-35-20-8-6-18(7-9-20)22(12-26(33)36-2)28-27(34)24(31)11-21(37-28)16-29-13-17-10-19(15-29)23-4-3-5-25(32)30(23)14-17/h3-9,11,17,19,22,34H,10,12-16H2,1-2H3/t17-,19+,22?/m0/s1InChIKey
LWHXLSFJIZDZSM-IQOYXIRXSA-NSynonyms
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc(cc1)OC
InChI=1SC28H30N2O7c135208618(7920)22(1226(33)362)2827(34)24(31)1121(3728)162913171019(1529)2343525(32)30(23)1417h391117192234H101216H212H3t1719+22?m0s1
methyl3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(4methoxyphenyl)propanoate
methyl3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(4methoxyphenyl)propanoate
ZINC000225423274
ZINC000225423319
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Check stock on Vitas-MAvailable files
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