Vitas-M small molecule compound

3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate

Catalog ID
STK806282
SMILES O=C(Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)[N+](=O)[O-])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 C25H20N2O8S MW 508.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O8S/c1-16-2-9-20(10-3-16)36(32,33)26-13-12-24(28)35-19-8-11-21-23(14-19)34-15-22(25(21)29)17-4-6-18(7-5-17)27(30)31/h2-11,14-15,26H,12-13H2,1H3
InChIKey
JHLKMRPTEBJIBK-UHFFFAOYSA-N
Synonyms
329707-79-1
(3(4NITROPHENYL)4OXOCHROMEN7YL)3((4METHYLPHENYL)SULFONYLAMINO)PROPANOATE
3(4nitrophenyl)4oxo4Hchromen7yl3(4methylphenylsulfonamido)propanoate
3(4nitrophenyl)4oxo4Hchromen7ylN((4methylphenyl)sulfonyl)betaalaninate
3(4NITROPHENYL)4OXOCHROMEN7YL3(((4METHYLPHENYL)SULFONYL)AMINO)PROPANOATE
329707791
CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC25H20N2O8Sc1162920(10316)36(3233)26131224(28)35198112123(1419)341522(25(21)29)174618(7517)27(30)31h211141526H1213H21H3
MFCD01563699
O=C(Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)(N+)(=O)(O))CCNS(=O)(=O)c1ccc(cc1)C
ZINC000002999512
ZINC02999512
ZINC2999512

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Available files

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