Vitas-M small molecule compound
6-chloro-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-3-(2-oxo-2-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethyl)-2H-chromen-2-one
Catalog ID
STK624539
SMILES CC(=C)COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)N1CCN(CC1)CCc1ccccn1
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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 C27H30ClN3O4 MW 496.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30ClN3O4/c1-18(2)17-34-25-16-24-21(14-23(25)28)19(3)22(27(33)35-24)15-26(32)31-12-10-30(11-13-31)9-7-20-6-4-5-8-29-20/h4-6,8,14,16H,1,7,9-13,15,17H2,2-3H3InChIKey
HXTJVQUBJQBBGP-UHFFFAOYSA-NSynonyms
921056-40-86chloro4methyl7((2methylallyl)oxy)3(2oxo2(4(2(pyridin2yl)ethyl)piperazin1yl)ethyl)2Hchromen2one
6chloro4methyl7((2methylprop2en1yl)oxy)3(2oxo2(4(2(pyridin2yl)ethyl)piperazin1yl)ethyl)2Hchromen2one
6chloro4methyl7(2methylprop2enoxy)3(2oxo2(4(2pyridin2ylethyl)piperazin1yl)ethyl)chromen2one
921056408
CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C)CC(=O)N3CCN(CC3)CCC4=CC=CC=N4
InChI=1SC27H30ClN3O4c118(2)173425162421(1423(25)28)19(3)22(27(33)3524)1526(32)31121030(111331)972064582920h4681416H179131517H223H3
MFCD08748852
ZINC000020623573
ZINC20623573
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