Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}propylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK207389
SMILES CC/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C)/NCCc1c[nH]cn1
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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 C26H26N6OS2 MW 502.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N6OS2/c1-3-20(28-13-12-18-14-27-16-29-18)24-22(15-34-19-10-8-17(2)9-11-19)31-32(25(24)33)26-30-21-6-4-5-7-23(21)35-26/h4-11,14,16,28H,3,12-13,15H2,1-2H3,(H,27,29)/b24-20-InChIKey
WKOLZLGRWGZEHH-GFMRDNFCSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1((2(1Himidazol4yl)ethyl)amino)propylidene)5(((4methylphenyl)sulfanyl)methyl)24dihydro3Hpyrazol3one
(4Z)2(13benzothiazol2yl)4(1(2(1Himidazol5yl)ethylamino)propylidene)5((4methylphenyl)sulfanylmethyl)pyrazol3one
1BENZOTHIAZOL2YL4(((2IMIDAZOL4YLETHYL)AMINO)PROPYLIDENE)3((4METHYLPHENYLTHIO)METHYL)12DIAZOLIN5ONE
CCC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C)NCCc1c(nH)cn1
CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)C)NCCC5=CN=CN5
InChI=1SC26H26N6OS2c1320(281312181427162918)2422(15341910817(2)91119)3132(25(24)33)263021645723(21)3526h411141628H3121315H212H3(H2729)b2420
MFCD06754537
ZINC000100432850
ZINC09972288
ZINC100432850
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.