Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK002700
SMILES COCCCN/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)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 C23H24N4O2S2 MW 452.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O2S2/c1-16-8-10-17(11-9-16)30-15-20-18(14-24-12-5-13-29-2)22(28)27(26-20)23-25-19-6-3-4-7-21(19)31-23/h3-4,6-11,14,24H,5,12-13,15H2,1-2H3/b18-14+InChIKey
GJWCPHBOMZJDBG-NBVRZTHBSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(((3METHOXYPROPYL)AMINO)METHYLIDENE)5(((4METHYLPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4((3METHOXYPROPYLAMINO)METHYLIDENE)5((4METHYLPHENYL)SULFANYLMETHYL)PYRAZOL3ONE
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CNCCCOC)C3=NC4=CC=CC=C4S3
COCCCNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C
InChI=1SC23H24N4O2S2c11681017(11916)30152018(142412513292)22(28)27(2620)232519634721(19)3123h346111424H5121315H212H3b1814+
MFCD08049066
STK002700
ZINC000101375084
ZINC101375084
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