Vitas-M small molecule compound
3-{3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl}-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-chromen-2-one
Catalog ID
STL010631
SMILES CC(=C)COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)N1CCC(CC1)c1nc2c([nH]1)cccc2
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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 C29H31N3O4 MW 485.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4/c1-18(2)17-35-21-8-9-22-19(3)23(29(34)36-26(22)16-21)10-11-27(33)32-14-12-20(13-15-32)28-30-24-6-4-5-7-25(24)31-28/h4-9,16,20H,1,10-15,17H2,2-3H3,(H,30,31)InChIKey
HDRJOSRVWWRPMZ-UHFFFAOYSA-NSynonyms
921124-95-03(3(4(1Hbenzimidazol2yl)piperidin1yl)3oxopropyl)4methyl7((2methylprop2en1yl)oxy)2Hchromen2one
3(3(4(1Hbenzimidazol2yl)piperidin1yl)3oxopropyl)4methyl7(2methylprop2enoxy)chromen2one
3(3(4(1Hbenzo(d)imidazol2yl)piperidin1yl)3oxopropyl)4methyl7((2methylallyl)oxy)2Hchromen2one
921124950
CC(=C)COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)N1CCC(CC1)c1nc2c((nH)1)cccc2
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5N4
InChI=1SC29H31N3O4c118(2)173521892219(3)23(29(34)3626(22)1621)101127(33)32141220(131532)283024645725(24)3128h491620H1101517H223H3(H3031)
MFCD08747854
ZINC000009060240
ZINC09060240
ZINC9060240
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