Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-[(propylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK206715
SMILES CCCN/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CCC
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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 C17H20N4OS MW 328.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4OS/c1-3-7-13-12(11-18-10-4-2)16(22)21(20-13)17-19-14-8-5-6-9-15(14)23-17/h5-6,8-9,11,18H,3-4,7,10H2,1-2H3/b12-11+InChIKey
GGMGPKZLMUJTOL-VAWYXSNFSA-NSynonyms
(4E)2(13benzothiazol2yl)5propyl4((propylamino)methylidene)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)5PROPYL4(PROPYLAMINOMETHYLIDENE)PYRAZOL3ONE
1BENZOTHIAZOL2YL3PROPYL4((PROPYLAMINO)METHYLENE)12DIAZOLIN5ONE
CCCC1=NN(C(=O)C1=CNCCC)C2=NC3=CC=CC=C3S2
CCCNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CCC
InChI=1SC17H20N4OSc1371312(11181042)16(22)21(2013)171914856915(14)2317h56891118H34710H212H3b1211+
MFCD05022510
ZINC000100429111
ZINC100429111
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