Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[2-(1H-imidazol-5-yl)ethyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK261695
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C/NCCc1cnc[nH]1)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 C23H19ClN6OS2 MW 495.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN6OS2/c24-15-5-7-17(8-6-15)32-13-20-18(12-25-10-9-16-11-26-14-27-16)22(31)30(29-20)23-28-19-3-1-2-4-21(19)33-23/h1-8,11-12,14,25H,9-10,13H2,(H,26,27)/b18-12+InChIKey
XHMSCLBDKDIEIH-LDADJPATSA-NSynonyms
(4E)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(((2(1Himidazol5yl)ethyl)amino)methylidene)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)5((4CHLOROPHENYL)SULFANYLMETHYL)4((2(1HIMIDAZOL5YL)ETHYLAMINO)METHYLIDENE)PYRAZOL3ONE
C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=CNCCC4=CN=CN4)C(=N3)CSC5=CC=C(C=C5)Cl
Clc1ccc(cc1)SCC1=NN(C(=O)C1=CNCCc1cnc(nH)1)c1nc2c(s1)cccc2
InChI=1SC23H19ClN6OS2c24155717(8615)32132018(1225109161126142716)22(31)30(2920)232819312421(19)3323h1811121425H91013H2(H2627)b1812+
MFCD05022523
ZINC000100432732
ZINC100432732
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