Vitas-M small molecule compound
4-[3-amino-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-oxopropyl]phenyl 4-methoxybenzoate
Catalog ID
STL551016
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1)C(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(=O)N
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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 C34H33N3O8 MW 611.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N3O8/c1-43-24-9-7-22(8-10-24)34(42)45-25-11-5-21(6-12-25)27(15-30(35)39)33-32(41)29(38)14-26(44-33)19-36-16-20-13-23(18-36)28-3-2-4-31(40)37(28)17-20/h2-12,14,20,23,27,41H,13,15-19H2,1H3,(H2,35,39)/t20-,23+,27?/m1/s1InChIKey
YLDLXXXKOZOUOJ-CZKNKUHGSA-NSynonyms
(4(3amino1(3hydroxy4oxo6(((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)pyran2yl)3oxopropyl)phenyl)4methoxybenzoate
129894746
4(3amino1(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3oxopropyl)phenyl4methoxybenzoate
4(3amino1(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3oxopropyl)phenyl4methoxybenzoate
COc1ccc(cc1)C(=O)Oc1ccc(cc1)C(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(=O)N
InChI=1SC34H33N3O8c143249722(81024)34(42)452511521(61225)27(1530(35)39)3332(41)29(38)1426(4433)193616201323(1836)2832431(40)37(28)1720h2121420232741H131519H21H3(H23539)t2023+27?m1s1
ZINC000524729561
ZINC000524729562
Check stock
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Check stock on Vitas-MAvailable files
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