Vitas-M small molecule compound
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)propanoate
Catalog ID
STL545468
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc2c(c1)OCCO2
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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 C29H30N2O8 MW 534.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O8/c1-36-27(34)12-21(18-5-6-24-25(10-18)38-8-7-37-24)29-28(35)23(32)11-20(39-29)16-30-13-17-9-19(15-30)22-3-2-4-26(33)31(22)14-17/h2-6,10-11,17,19,21,35H,7-9,12-16H2,1H3/t17-,19+,21?/m0/s1InChIKey
HFTBHDVPIRTSGM-FOHCZPNYSA-NSynonyms
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc2c(c1)OCCO2
InChI=1SC29H30N2O8c13627(34)1221(18562425(1018)38873724)2928(35)23(32)1120(3929)16301317919(1530)2232426(33)31(22)1417h26101117192135H791216H21H3t1719+21?m0s1
methyl3(23dihydro14benzodioxin6yl)3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)propanoate
methyl3(23dihydrobenzo(b)(14)dioxin6yl)3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)propanoate
ZINC000225422250
ZINC000225422286
Check stock
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