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-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate
Catalog ID
STL545019
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1cc(OC)c2c(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 C30H32N2O9 MW 564.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O9/c1-37-24-9-18(10-25-30(24)40-7-6-39-25)21(12-27(35)38-2)29-28(36)23(33)11-20(41-29)16-31-13-17-8-19(15-31)22-4-3-5-26(34)32(22)14-17/h3-5,9-11,17,19,21,36H,6-8,12-16H2,1-2H3/t17-,19+,21?/m0/s1InChIKey
LXXSWQWEGWTTQK-FOHCZPNYSA-NSynonyms
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1cc(OC)c2c(c1)OCCO2
InChI=1SC30H32N2O9c13724918(102530(24)40763925)21(1227(35)382)2928(36)23(33)1120(4129)16311317819(1531)2243526(34)32(22)1417h3591117192136H681216H212H3t1719+21?m0s1
methyl3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(8methoxy23dihydrobenzo(b)(14)dioxin6yl)propanoate
methyl3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(8methoxy23dihydro14benzodioxin6yl)propanoate
ZINC000225426932
ZINC000225426972
Check stock
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Check stock on Vitas-MAvailable files
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