Vitas-M small molecule compound
3-(4-bromophenoxy)-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
Catalog ID
STK717867
SMILES O=C(Oc1ccc2c(c1)occ(c2=O)Oc1ccc(cc1)Br)CCNS(=O)(=O)c1ccc(cc1)C
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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 C25H20BrNO7S MW 558.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrNO7S/c1-16-2-9-20(10-3-16)35(30,31)27-13-12-24(28)34-19-8-11-21-22(14-19)32-15-23(25(21)29)33-18-6-4-17(26)5-7-18/h2-11,14-15,27H,12-13H2,1H3InChIKey
ICCIDLXOUYCFHO-UHFFFAOYSA-NSynonyms
(3(4BROMOPHENOXY)4OXOCHROMEN7YL)3((4METHYLPHENYL)SULFONYLAMINO)PROPANOATE
3(4bromophenoxy)4oxo4Hchromen7yl3(4methylphenylsulfonamido)propanoate
3(4bromophenoxy)4oxo4Hchromen7ylN((4methylphenyl)sulfonyl)betaalaninate
CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC=C(C=C4)Br
InChI=1SC25H20BrNO7Sc1162920(10316)35(3031)27131224(28)34198112122(1419)321523(25(21)29)33186417(26)5718h211141527H1213H21H3
MFCD00729705
ZINC000000625847
ZINC00625847
ZINC625847
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