Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(2-methylpropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK958030
SMILES CCCC1=NN(C(=O)/C/1=C/NCC(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 C18H22N4OS MW 342.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4OS/c1-4-7-14-13(11-19-10-12(2)3)17(23)22(21-14)18-20-15-8-5-6-9-16(15)24-18/h5-6,8-9,11-12,19H,4,7,10H2,1-3H3/b13-11+InChIKey
HXNYIJZTPNIRDT-ACCUITESSA-NSynonyms
1164555-35-4(4E)2(13benzothiazol2yl)4(((2methylpropyl)amino)methylidene)5propyl24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4((2METHYLPROPYLAMINO)METHYLIDENE)5PROPYLPYRAZOL3ONE
1164555354
2BENZOTHIAZOL2YL4((E)ISOBUTYLIMINOMETHYL)5PROPYL12DIHYDROPYRAZOL3ONE
CCCC1=NN(C(=O)C1=CNCC(C)C)c1nc2c(s1)cccc2
CCCC1=NN(C(=O)C1=CNCC(C)C)C2=NC3=CC=CC=C3S2
InChI=1SC18H22N4OSc1471413(11191012(2)3)17(23)22(2114)182015856916(15)2418h5689111219H4710H213H3b1311+
MFCD01834879
ZINC000100163518
ZINC100163518
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