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Vitas-M small molecule compound

ethyl N-[4-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-4-oxobutanoyl]-O-methyl-3-nitrotyrosinate

Catalog ID
STK533376
SMILES CCOC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])OC)NC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)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 C28H32N6O9S MW 628.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N6O9S/c1-5-43-27(37)22(15-19-6-11-24(42-4)23(16-19)34(38)39)32-26(36)13-12-25(35)31-20-7-9-21(10-8-20)44(40,41)33-28-29-17(2)14-18(3)30-28/h6-11,14,16,22H,5,12-13,15H2,1-4H3,(H,31,35)(H,32,36)(H,29,30,33)
InChIKey
QCWHKNPQPUFINQ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C(CC1=CC(=C(C=C1)OC)(N+)(=O)(O))NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C
CCOC(=O)C(Cc1ccc(c(c1)(N+)(=O)(O))OC)NC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C
ETHYL2((4(4((46DIMETHYLPYRIMIDIN2YL)SULFAMOYL)ANILINO)4OXOBUTANOYL)AMINO)3(4METHOXY3NITROPHENYL)PROPANOATE
ETHYL2(3(N(4(((46DIMETHYLPYRIMIDIN2YL)AMINO)SULFONYL)PHENYL)CARBAMOYL)PROPANOYLAMINO)3(4METHOXY3NITROPHENYL)PROPANOATE
ethyl2(4((4(N(46dimethylpyrimidin2yl)sulfamoyl)phenyl)amino)4oxobutanamido)3(4methoxy3nitrophenyl)propanoate
ethylN(4((4((46dimethylpyrimidin2yl)sulfamoyl)phenyl)amino)4oxobutanoyl)Omethyl3nitrotyrosinate
InChI=1SC28H32N6O9Sc154327(37)22(151961124(424)23(1619)34(38)39)3226(36)131225(35)31207921(10820)44(4041)33282917(2)1418(3)3028h611141622H5121315H214H3(H3135)(H3236)(H293033)
MFCD01030248
ZINC000006088637
ZINC000006088639

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Available files

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