Vitas-M small molecule compound
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-[1-benzyl-4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)piperidin-4-yl]acetamide
Catalog ID
STL559688
SMILES CCC(C(c1nc2c([nH]1)cccc2)NC(=O)CC1(CCN(CC1)Cc1ccccc1)c1oc(C)cc(=O)c1O)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 C32H38N4O4 MW 542.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N4O4/c1-4-21(2)28(31-33-24-12-8-9-13-25(24)34-31)35-27(38)19-32(30-29(39)26(37)18-22(3)40-30)14-16-36(17-15-32)20-23-10-6-5-7-11-23/h5-13,18,21,28,39H,4,14-17,19-20H2,1-3H3,(H,33,34)(H,35,38)InChIKey
CCKNYSXNNHARGK-UHFFFAOYSA-NSynonyms
139029929
CC(C@@H)((C@@H)(c1nc2c((nH)1)cccc2)NC(=O)CC1(CCN(CC1)Cc1ccccc1)c1oc(C)cc(=O)c1O)C
InChI=1SC32H38N4O4c1421(2)28(31332412891325(24)3431)3527(38)1932(3029(39)26(37)1822(3)4030)141636(171532)2023106571123h51318212839H414171920H213H3(H3334)(H3538)
MFCD32221527
N((1S2S)1(1Hbenzo(d)imidazol2yl)2methylbutyl)2(1benzyl4(3hydroxy6methyl4oxo4Hpyran2yl)piperidin4yl)acetamide
N(1(1Hbenzimidazol2yl)2methylbutyl)2(1benzyl4(3hydroxy6methyl4oxo4Hpyran2yl)piperidin4yl)acetamide
N(1(1Hbenzimidazol2yl)2methylbutyl)2(1benzyl4(3hydroxy6methyl4oxopyran2yl)piperidin4yl)acetamide
ZINC001776111508
ZINC001776111511
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