Vitas-M small molecule compound
3-[3-(hydroxymethyl)-4-methoxyphenyl]-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)propanamide
Catalog ID
STL550361
SMILES COc1ccc(cc1CO)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 C28H31N3O7 MW 521.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O7/c1-37-24-6-5-17(8-19(24)15-32)21(10-25(29)34)28-27(36)23(33)9-20(38-28)14-30-11-16-7-18(13-30)22-3-2-4-26(35)31(22)12-16/h2-6,8-9,16,18,21,32,36H,7,10-15H2,1H3,(H2,29,34)/t16-,18+,21?/m1/s1InChIKey
ONSZKLXTNQVVKK-JUAJCIKASA-NSynonyms
129895601
3(3(hydroxymethyl)4methoxyphenyl)3(3hydroxy4oxo6(((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)pyran2yl)propanamide
3(3(hydroxymethyl)4methoxyphenyl)3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)propanamide
3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(3(hydroxymethyl)4methoxyphenyl)propanamide
COc1ccc(cc1CO)C(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(=O)N
InChI=1SC28H31N3O7c137246517(819(24)1532)21(1025(29)34)2827(36)23(33)920(3828)14301116718(1330)2232426(35)31(22)1216h26891618213236H71015H21H3(H22934)t1618+21?m1s1
ZINC000524731222
ZINC000524731223
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.