Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL444542
SMILES CCCC1=NN(C(=O)/C/1=C(/Nc1ccc(cc1)C)\C)c1nc2c(s1)cccc2
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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 C22H22N4OS MW 390.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4OS/c1-4-7-18-20(15(3)23-16-12-10-14(2)11-13-16)21(27)26(25-18)22-24-17-8-5-6-9-19(17)28-22/h5-6,8-13,23H,4,7H2,1-3H3/b20-15+InChIKey
KQCJHZQJMDBJIZ-HMMYKYKNSA-NSynonyms
(4E)2(13benzothiazol2yl)4(1((4methylphenyl)amino)ethylidene)5propyl24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4(1(4METHYLANILINO)ETHYLIDENE)5PROPYLPYRAZOL3ONE
CCCC1=NN(C(=O)C1=C(C)NC2=CC=C(C=C2)C)C3=NC4=CC=CC=C4S3
CCCC1=NN(C(=O)C1=C(Nc1ccc(cc1)C)C)c1nc2c(s1)cccc2
InChI=1SC22H22N4OSc1471820(15(3)2316121014(2)111316)21(27)26(2518)222417856919(17)2822h5681323H47H213H3b2015+
MFCD02949704
ZINC000103546178
ZINC103546178
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