Vitas-M small molecule compound
4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-3-(2-oxo-2-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethyl)-2H-chromen-2-one
Catalog ID
STL232851
SMILES CC(=C)COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)N1CCN(CC1)CCc1ccncc1
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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 C27H31N3O4 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4/c1-19(2)18-33-22-4-5-23-20(3)24(27(32)34-25(23)16-22)17-26(31)30-14-12-29(13-15-30)11-8-21-6-9-28-10-7-21/h4-7,9-10,16H,1,8,11-15,17-18H2,2-3H3InChIKey
SKSCGVBEFUXIEP-UHFFFAOYSA-NSynonyms
921114-45-64methyl7((2methylallyl)oxy)3(2oxo2(4(2(pyridin4yl)ethyl)piperazin1yl)ethyl)2Hchromen2one
4methyl7((2methylprop2en1yl)oxy)3(2oxo2(4(2(pyridin4yl)ethyl)piperazin1yl)ethyl)2Hchromen2one
4methyl7(2methylprop2enoxy)3(2oxo2(4(2pyridin4ylethyl)piperazin1yl)ethyl)chromen2one
921114456
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CC(=O)N3CCN(CC3)CCC4=CC=NC=C4
InChI=1SC27H31N3O4c119(2)183322452320(3)24(27(32)3425(23)1622)1726(31)30141229(131530)11821692810721h4791016H1811151718H223H3
MFCD08748304
ZINC000020623278
ZINC20623278
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