Vitas-M small molecule compound
(4E)-2-(2,4-dimethylphenyl)-4-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295885
SMILES CCOc1ccc2c(c1)sc(n2)N/C=C/1\C(=NN(C1=O)c1ccc(cc1C)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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-5-28-16-7-8-18-20(11-16)29-22(24-18)23-12-17-15(4)25-26(21(17)27)19-9-6-13(2)10-14(19)3/h6-12H,5H2,1-4H3,(H,23,24)/b17-12+InChIKey
IGZRDZHQRCDCFC-SFQUDFHCSA-NSynonyms
(4E)2(24dimethylphenyl)4(((6ethoxy13benzothiazol2yl)amino)methylidene)5methyl24dihydro3Hpyrazol3one
(4E)2(24dimethylphenyl)4(((6ethoxy13benzothiazol2yl)amino)methylidene)5methylpyrazol3one
CCOC1=CC2=C(C=C1)N=C(S2)NC=C3C(=NN(C3=O)C4=C(C=C(C=C4)C)C)C
CCOc1ccc2c(c1)sc(n2)NC=C1C(=NN(C1=O)c1ccc(cc1C)C)C
InChI=1SC22H22N4O2Sc152816781820(1116)2922(2418)23121715(4)2526(21(17)27)199613(2)1014(19)3h612H5H214H3(H2324)b1712+
MFCD28033205
ZINC000101128544
ZINC101128544
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