Vitas-M small molecule compound
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanamide
Catalog ID
STL549646
SMILES COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)N[C@H](c1nc2c([nH]1)cccc2)C(C)C
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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 C27H29N3O6 MW 491.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O6/c1-14(2)24(27-28-18-7-5-6-8-19(18)29-27)30-23(33)13-17(16-9-10-20(31)22(12-16)35-4)26-25(34)21(32)11-15(3)36-26/h5-12,14,17,24,31,34H,13H2,1-4H3,(H,28,29)(H,30,33)/t17?,24-/m0/s1InChIKey
LGEDGAZCSQUEMY-UCSBTNPJSA-NSynonyms
~(N)((1~(S))1(1~(H)benzimidazol2yl)2methylpropyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)propanamide
129894974
COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)N(C@H)(c1nc2c((nH)1)cccc2)C(C)C
InChI=1SC27H29N3O6c114(2)24(272818756819(18)2927)3023(33)1317(1691020(31)22(1216)354)2625(34)21(32)1115(3)3626h5121417243134H13H214H3(H2829)(H3033)t17?24m0s1
N((1S)1(1Hbenzimidazol2yl)2methylpropyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanamide
N((S)1(1Hbenzo(d)imidazol2yl)2methylpropyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanamide
ZINC000524729827
ZINC000524729828
Check stock
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