Vitas-M small molecule compound

(4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cycloheptylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL446377
SMILES O=C1N(N=C(/C/1=C/NC1CCCCCC1)C(F)(F)F)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 C19H19F3N4OS MW 408.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N4OS/c20-19(21,22)16-13(11-23-12-7-3-1-2-4-8-12)17(27)26(25-16)18-24-14-9-5-6-10-15(14)28-18/h5-6,9-12,23H,1-4,7-8H2/b13-11-
InChIKey
OBSFHQVNVFVYRV-QBFSEMIESA-N
Synonyms

(4Z)2(13benzothiazol2yl)4((cycloheptylamino)methylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4((CYCLOHEPTYLAMINO)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
C1CCCC(CC1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F
InChI=1SC19H19F3N4OSc2019(2122)1613(11231273124812)17(27)26(2516)1824149561015(14)2818h5691223H1478H2b1311
MFCD06240656
O=C1N(N=C(C1=CNC1CCCCCC1)C(F)(F)F)c1nc2c(s1)cccc2
ZINC000103538211
ZINC103538211

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Available files

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