Vitas-M small molecule compound

(4E)-2-(1,3-benzothiazol-2-yl)-4-({[2-(1H-imidazol-4-yl)ethyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK207330
SMILES CCCC1=NN(C(=O)/C/1=C/NCCc1c[nH]cn1)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 C19H20N6OS MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N6OS/c1-2-5-15-14(11-20-9-8-13-10-21-12-22-13)18(26)25(24-15)19-23-16-6-3-4-7-17(16)27-19/h3-4,6-7,10-12,20H,2,5,8-9H2,1H3,(H,21,22)/b14-11+
InChIKey
CMRYILUTTPSKGR-SDNWHVSQSA-N
Synonyms

(4E)2(13benzothiazol2yl)4(((2(1Himidazol4yl)ethyl)amino)methylidene)5propyl24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4((2(1HIMIDAZOL5YL)ETHYLAMINO)METHYLIDENE)5PROPYLPYRAZOL3ONE
1BENZOTHIAZOL2YL4(((2IMIDAZOL4YLETHYL)AMINO)METHYLENE)3PROPYL12DIAZOLIN5ONE
CCCC1=NN(C(=O)C1=CNCCc1c(nH)cn1)c1nc2c(s1)cccc2
CCCC1=NN(C(=O)C1=CNCCC2=CN=CN2)C3=NC4=CC=CC=C4S3
InChI=1SC19H20N6OSc1251514(112098131021122213)18(26)25(2415)192316634717(16)2719h3467101220H2589H21H3(H2122)b1411+
MFCD06242273
ZINC000100432728
ZINC04741462
ZINC100432728

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Available files

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