Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(furan-2-ylmethyl)amino]methylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK056104
SMILES Cc1ccc(cc1)SCC1=NN(C(=O)/C/1=C/NCc1ccco1)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 C24H20N4O2S2 MW 460.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O2S2/c1-16-8-10-18(11-9-16)31-15-21-19(14-25-13-17-5-4-12-30-17)23(29)28(27-21)24-26-20-6-2-3-7-22(20)32-24/h2-12,14,25H,13,15H2,1H3/b19-14+InChIKey
BBJAJWCPAGTPRX-XMHGGMMESA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(((FURAN2YLMETHYL)AMINO)METHYLIDENE)5(((4METHYLPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)4((furan2ylmethylamino)methylidene)5((4methylphenyl)sulfanylmethyl)pyrazol3one
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CNCC3=CC=CO3)C4=NC5=CC=CC=C5S4
Cc1ccc(cc1)SCC1=NN(C(=O)C1=CNCc1ccco1)c1nc2c(s1)cccc2
InChI=1SC24H20N4O2S2c11681018(11916)31152119(1425131754123017)23(29)28(2721)242620623722(20)3224h2121425H1315H21H3b1914+
MFCD08051327
STK056104
ZINC000100304160
ZINC100304160
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