Vitas-M small molecule compound

(4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL170831
SMILES CC1=NN(C(=O)/C/1=C/NC1CCCC1)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 C17H18N4OS MW 326.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4OS/c1-11-13(10-18-12-6-2-3-7-12)16(22)21(20-11)17-19-14-8-4-5-9-15(14)23-17/h4-5,8-10,12,18H,2-3,6-7H2,1H3/b13-10+
InChIKey
IUQKOCUZPLAARM-JLHYYAGUSA-N
Synonyms

(4E)2(13BENZOTHIAZOL2YL)4((CYCLOPENTYLAMINO)METHYLENE)5METHYL24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)4((cyclopentylamino)methylidene)5methyl24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4((CYCLOPENTYLAMINO)METHYLIDENE)5METHYLPYRAZOL3ONE
2BENZOTHIAZOL2YL4CYCLOPENTYLAMINOMETHYLENE5METHYL24DIHYDROPYRAZOL3ONE
CC1=NN(C(=O)C1=CNC1CCCC1)c1nc2c(s1)cccc2
CC1=NN(C(=O)C1=CNC2CCCC2)C3=NC4=CC=CC=C4S3
InChI=1SC17H18N4OSc11113(101812623712)16(22)21(2011)171914845915(14)2317h458101218H2367H21H3b1310+
MFCD01466223
ZINC000100150636
ZINC100150636

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Available files

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