Vitas-M small molecule compound

propan-2-yl 4-[(4Z)-3-methyl-5-oxo-4-{[1-(4-sulfamoylphenyl)-1H-pyrrol-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl]benzoate

Catalog ID
STK381144
SMILES CC(OC(=O)c1ccc(cc1)N1N=C(/C(=C/c2cccn2c2ccc(cc2)S(=O)(=O)N)/C1=O)C)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 C25H24N4O5S MW 492.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O5S/c1-16(2)34-25(31)18-6-8-20(9-7-18)29-24(30)23(17(3)27-29)15-21-5-4-14-28(21)19-10-12-22(13-11-19)35(26,32)33/h4-16H,1-3H3,(H2,26,32,33)/b23-15-
InChIKey
HTTLFCIXRYLGOB-HAHDFKILSA-N
Synonyms

CC(OC(=O)c1ccc(cc1)N1N=C(C(=Cc2cccn2c2ccc(cc2)S(=O)(=O)N)C1=O)C)C
CC1=NN(C(=O)C1=CC2=CC=CN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)C(=O)OC(C)C
InChI=1SC25H24N4O5Sc116(2)3425(31)186820(9718)2924(30)23(17(3)2729)1521541428(21)19101222(131119)35(2632)33h416H13H3(H2263233)b2315
ISOPROPYL4(4((1(4(AMINOSULFONYL)PHENYL)1HPYRROL2YL)METHYLENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOATE
METHYLETHYL4(3METHYL5OXO4((1(4SULFAMOYLPHENYL)PYRROL2YL)METHYLENE)12DIAZOLINYL)BENZOATE
MFCD02909233
propan2yl4((4Z)3methyl5oxo4((1(4sulfamoylphenyl)1Hpyrrol2yl)methylidene)45dihydro1Hpyrazol1yl)benzoate
PROPAN2YL4((4Z)3METHYL5OXO4((1(4SULFAMOYLPHENYL)PYRROL2YL)METHYLIDENE)PYRAZOL1YL)BENZOATE
ZINC000008438767
ZINC08438767
ZINC8438767

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Available files

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