Vitas-M small molecule compound
(4E)-2-(3,4-dimethylphenyl)-4-({[2-methoxy-4-(piperidin-1-ylsulfonyl)phenyl]amino}methylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL294854
SMILES COc1cc(ccc1N/C=C/1\C(=NN(C1=O)c1ccc(c(c1)C)C)C)S(=O)(=O)N1CCCCC1
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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 C25H30N4O4S MW 482.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O4S/c1-17-8-9-20(14-18(17)2)29-25(30)22(19(3)27-29)16-26-23-11-10-21(15-24(23)33-4)34(31,32)28-12-6-5-7-13-28/h8-11,14-16,26H,5-7,12-13H2,1-4H3/b22-16+InChIKey
OAADZQXMONRPBQ-CJLVFECKSA-NSynonyms
(4E)2(34dimethylphenyl)4(((2methoxy4(piperidin1ylsulfonyl)phenyl)amino)methylidene)5methyl24dihydro3Hpyrazol3one
(4E)2(34dimethylphenyl)4((2methoxy4piperidin1ylsulfonylanilino)methylidene)5methylpyrazol3one
CC1=C(C=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)OC)C(=N2)C)C
COc1cc(ccc1NC=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C)S(=O)(=O)N1CCCCC1
InChI=1SC25H30N4O4Sc1178920(1418(17)2)2925(30)22(19(3)2729)162623111021(1524(23)334)34(3132)28126571328h811141626H571213H214H3b2216+
MFCD28032792
ZINC000008384785
ZINC8384785
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