Vitas-M small molecule compound

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

Catalog ID
STK700966
SMILES O=C(Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)[N+](=O)[O-])C)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 C26H22N2O8S MW 522.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O8S/c1-16-3-10-21(11-4-16)37(33,34)27-14-13-24(29)36-20-9-12-22-23(15-20)35-17(2)25(26(22)30)18-5-7-19(8-6-18)28(31)32/h3-12,15,27H,13-14H2,1-2H3
InChIKey
MPEOXLLJVOPMPR-UHFFFAOYSA-N
Synonyms
329707-75-7
(2METHYL3(4NITROPHENYL)4OXOCHROMEN7YL)3((4METHYLPHENYL)SULFONYLAMINO)PROPANOATE
2methyl3(4nitrophenyl)4oxo4Hchromen7yl3(4methylphenylsulfonamido)propanoate
2methyl3(4nitrophenyl)4oxo4Hchromen7ylN((4methylphenyl)sulfonyl)betaalaninate
2METHYL3(4NITROPHENYL)4OXOCHROMEN7YL3(((4METHYLPHENYL)SULFONYL)AMINO)PROPANOATE
329707757
CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC26H22N2O8Sc11631021(11416)37(3334)27141324(29)36209122223(1520)3517(2)25(26(22)30)185719(8618)28(31)32h3121527H1314H212H3
MFCD01559901
O=C(Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)(N+)(=O)(O))C)CCNS(=O)(=O)c1ccc(cc1)C
ZINC000002260528
ZINC2260528

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Available files

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