Vitas-M small molecule compound

7-hydroxy-4,8-dimethyl-3-{2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl}-2H-chromen-2-one

Catalog ID
STK625902
SMILES O=C(N1CCN(CC1)c1cc(C)c2c(n1)cccc2)Cc1c(=O)oc2c(c1C)ccc(c2C)O

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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 C27H27N3O4 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4/c1-16-14-24(28-22-7-5-4-6-19(16)22)29-10-12-30(13-11-29)25(32)15-21-17(2)20-8-9-23(31)18(3)26(20)34-27(21)33/h4-9,14,31H,10-13,15H2,1-3H3
InChIKey
BWMYCKUQNSFFAM-UHFFFAOYSA-N
Synonyms
929851-87-6
7hydroxy48dimethyl3(2(4(4methylquinolin2yl)piperazin1yl)2oxoethyl)2Hchromen2one
7hydroxy48dimethyl3(2(4(4methylquinolin2yl)piperazin1yl)2oxoethyl)chromen2one
929851876
CC1=CC(=NC2=CC=CC=C12)N3CCN(CC3)C(=O)CC4=C(C5=C(C(=C(C=C5)O)C)OC4=O)C
InChI=1SC27H27N3O4c1161424(2822754619(16)22)29101230(131129)25(32)152117(2)208923(31)18(3)26(20)3427(21)33h491431H101315H213H3
MFCD09795444
ZINC000009575244
ZINC9575244

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.