Vitas-M small molecule compound
7-hydroxy-4-methyl-3-(2-oxo-2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethyl)-2H-chromen-2-one
Catalog ID
STL008775
SMILES Oc1ccc2c(c1)oc(=O)c(c2C)CC(=O)N1CCN(CC1)C/C=C/c1ccccc1
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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 C25H26N2O4 MW 418.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O4/c1-18-21-10-9-20(28)16-23(21)31-25(30)22(18)17-24(29)27-14-12-26(13-15-27)11-5-8-19-6-3-2-4-7-19/h2-10,16,28H,11-15,17H2,1H3/b8-5+InChIKey
DDFPBZZYPQTWHW-VMPITWQZSA-NSynonyms
929830-01-3(E)3(2(4cinnamylpiperazin1yl)2oxoethyl)7hydroxy4methyl2Hchromen2one
7hydroxy4methyl3(2oxo2(4((2E)3phenylprop2en1yl)piperazin1yl)ethyl)2Hchromen2one
7hydroxy4methyl3(2oxo2(4((E)3phenylprop2enyl)piperazin1yl)ethyl)chromen2one
929830013
CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N3CCN(CC3)CC=CC4=CC=CC=C4
InChI=1SC25H26N2O4c1182110920(28)1623(21)3125(30)22(18)1724(29)27141226(131527)1158196324719h2101628H111517H21H3b85+
MFCD08743713
Oc1ccc2c(c1)oc(=O)c(c2C)CC(=O)N1CCN(CC1)CC=Cc1ccccc1
ZINC000020591803
ZINC20591803
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