Vitas-M small molecule compound

(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclopropylamino)ethylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK016311
SMILES C/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/NC1CC1

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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 C21H18N4OS MW 374.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4OS/c1-13(22-15-11-12-15)18-19(14-7-3-2-4-8-14)24-25(20(18)26)21-23-16-9-5-6-10-17(16)27-21/h2-10,15,22H,11-12H2,1H3/b18-13+
InChIKey
IDQGPOQQDNPNTI-QGOAFFKASA-N
Synonyms

(4E)2(13BENZOTHIAZOL2YL)4(1(CYCLOPROPYLAMINO)ETHYLIDENE)5PHENYL24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4(1(CYCLOPROPYLAMINO)ETHYLIDENE)5PHENYLPYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(1(cyclopropylamino)ethylidene)3phenyl1Hpyrazol5(4H)one
2BENZOTHIAZOL2YL4(1CYCLOPROPYLAMINOETHYLIDENE)5PHENYL24DIHYDROPYRAZOL3ONE
CC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)NC1CC1
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)NC5CC5
InChI=1SC21H18N4OSc113(2215111215)1819(147324814)2425(20(18)26)2123169561017(16)2721h2101522H1112H21H3b1813+
MFCD01956336
STK016311
ZINC000100095222
ZINC100095222

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Available files

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