Vitas-M small molecule compound

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

Catalog ID
STK164658
SMILES C/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NC1CCCCC1

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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/c1-11(23-12-7-3-2-4-8-12)15-16(19(20,21)22)25-26(17(15)27)18-24-13-9-5-6-10-14(13)28-18/h5-6,9-10,12,23H,2-4,7-8H2,1H3/b15-11+
InChIKey
SMDYJISASLCELV-RVDMUPIBSA-N
Synonyms

(4E)2(13BENZOTHIAZOL2YL)4(1(CYCLOHEXYLAMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4(1(CYCLOHEXYLAMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
1(13BENZOTHIAZOL2YL)4((1E)NCYCLOHEXYLETHANIMIDOYL)3(TRIFLUOROMETHYL)1HPYRAZOL5OL
1BENZOTHIAZOL2YL4((CYCLOHEXYLAMINO)ETHYLIDENE)3(TRIFLUOROMETHYL)12DIAZOLIN5ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NC4CCCCC4
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)NC1CCCCC1
InChI=1SC19H19F3N4OSc111(23127324812)1516(19(2021)22)2526(17(15)27)1824139561014(13)2818h569101223H2478H21H3b1511+
MFCD01210568
ZINC000100429108
ZINC100429108

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Available files

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