Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(5-chloro-2-hydroxyphenyl)amino]ethylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK057468
SMILES CCCC1=NN(C(=O)/C/1=C(/Nc1cc(Cl)ccc1O)\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 C21H19ClN4O2S MW 426.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2S/c1-3-6-15-19(12(2)23-16-11-13(22)9-10-17(16)27)20(28)26(25-15)21-24-14-7-4-5-8-18(14)29-21/h4-5,7-11,23,27H,3,6H2,1-2H3/b19-12+InChIKey
PEPXYLIAIZYTIR-XDHOZWIPSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(1((5CHLORO2HYDROXYPHENYL)AMINO)ETHYLIDENE)5PROPYL24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)4(1(5chloro2hydroxyanilino)ethylidene)5propylpyrazol3one
(E)1(benzo(d)thiazol2yl)4(1((5chloro2hydroxyphenyl)amino)ethylidene)3propyl1Hpyrazol5(4H)one
1(13BENZOTHIAZOL2YL)4((1E)N(5CHLORO2HYDROXYPHENYL)ETHANIMIDOYL)3PROPYL1HPYRAZOL5OL
CCCC1=NN(C(=O)C1=C(C)NC2=C(C=CC(=C2)Cl)O)C3=NC4=CC=CC=C4S3
CCCC1=NN(C(=O)C1=C(Nc1cc(Cl)ccc1O)C)c1nc2c(s1)cccc2
InChI=1SC21H19ClN4O2Sc1361519(12(2)23161113(22)91017(16)27)20(28)26(2515)212414745818(14)2921h457112327H36H212H3b1912+
MFCD01952053
STK057468
ZINC000100163325
ZINC09334928
ZINC100163325
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