Vitas-M small molecule compound

(4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK076738
SMILES Clc1ccc(c(c1)C(=O)c1ccccc1)N/C=C\1/C(=O)N(N=C1C(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 C25H14ClF3N4O2S MW 526.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H14ClF3N4O2S/c26-15-10-11-18(16(12-15)21(34)14-6-2-1-3-7-14)30-13-17-22(25(27,28)29)32-33(23(17)35)24-31-19-8-4-5-9-20(19)36-24/h1-13,30H/b17-13+
InChIKey
FJIDGZUQWSKIPM-GHRIWEEISA-N
Synonyms

(4E)2(13BENZOTHIAZOL2YL)4(((4CHLORO2(PHENYLCARBONYL)PHENYL)AMINO)METHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4((2BENZOYL4CHLOROANILINO)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(((2benzoyl4chlorophenyl)amino)methylene)3(trifluoromethyl)1Hpyrazol5(4H)one
2(13BENZOTHIAZOL2YL)4((E)((4CHLORO2(PHENYLCARBONYL)PHENYL)IMINO)METHYL)5(TRIFLUOROMETHYL)12DIHYDRO3HPYRAZOL3ONE
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC=C3C(=NN(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F
Clc1ccc(c(c1)C(=O)c1ccccc1)NC=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2
InChI=1SC25H14ClF3N4O2Sc2615101118(16(1215)21(34)146213714)30131722(25(2728)29)3233(23(17)35)243119845920(19)3624h11330Hb1713+
MFCD01856006
STK076738
ZINC000100408726
ZINC100408726

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Available files

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