Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK206696
SMILES COCCCN/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CCC
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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 C18H22N4O2S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O2S/c1-3-7-14-13(12-19-10-6-11-24-2)17(23)22(21-14)18-20-15-8-4-5-9-16(15)25-18/h4-5,8-9,12,19H,3,6-7,10-11H2,1-2H3/b13-12+InChIKey
UYVXMVNQYJVBBN-OUKQBFOZSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(((3METHOXYPROPYL)AMINO)METHYLIDENE)5PROPYL24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4((3METHOXYPROPYLAMINO)METHYLIDENE)5PROPYLPYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(((3methoxypropyl)amino)methylene)3propyl1Hpyrazol5(4H)one
2BENZOTHIAZOL2YL4(1(3METHOXYPROPYLAMINO)METH(E)YLIDENE)5PROPYL24DIHYDROPYRAZOL3ONE
CCCC1=NN(C(=O)C1=CNCCCOC)C2=NC3=CC=CC=C3S2
COCCCNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CCC
InChI=1SC18H22N4O2Sc1371413(121910611242)17(23)22(2114)182015845916(15)2518h45891219H3671011H212H3b1312+
MFCD01811069
ZINC000100163459
ZINC100163459
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