Vitas-M small molecule compound

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanamide

Catalog ID
STL549644
SMILES COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)N[C@H](c1nc2c([nH]1)cccc2)CC(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 C28H31N3O6 MW 505.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O6/c1-15(2)11-21(28-30-19-7-5-6-8-20(19)31-28)29-25(34)14-18(17-9-10-22(32)24(13-17)36-4)27-26(35)23(33)12-16(3)37-27/h5-10,12-13,15,18,21,32,35H,11,14H2,1-4H3,(H,29,34)(H,30,31)/t18?,21-/m0/s1
InChIKey
ZMMALYMQVLSYSR-ZYZRXSCRSA-N
Synonyms

~(N)((1~(S))1(1~(H)benzimidazol2yl)3methylbutyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)propanamide
129895530
COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)N(C@H)(c1nc2c((nH)1)cccc2)CC(C)C
InChI=1SC28H31N3O6c115(2)1121(283019756820(19)3128)2925(34)1418(1791022(32)24(1317)364)2726(35)23(33)1216(3)3727h51012131518213235H1114H214H3(H2934)(H3031)t18?21m0s1
N((1S)1(1Hbenzimidazol2yl)3methylbutyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanamide
N((S)1(1Hbenzo(d)imidazol2yl)3methylbutyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanamide
ZINC000524731479
ZINC000524731480

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Available files

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