Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK078292
SMILES Cc1ccc2c(c1)sc(n2)c1ccc(cc1)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 C26H16F3N5OS2 MW 535.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H16F3N5OS2/c1-14-6-11-19-21(12-14)36-23(31-19)15-7-9-16(10-8-15)30-13-17-22(26(27,28)29)33-34(24(17)35)25-32-18-4-2-3-5-20(18)37-25/h2-13,30H,1H3/b17-13+InChIKey
LYSRBKHBXIYZEU-GHRIWEEISA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(((4(6METHYL13BENZOTHIAZOL2YL)PHENYL)AMINO)METHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4((4(6METHYL13BENZOTHIAZOL2YL)ANILINO)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC=C4C(=NN(C4=O)C5=NC6=CC=CC=C6S5)C(F)(F)F
Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NC=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2
InChI=1SC26H16F3N5OS2c1146111921(1214)3623(3119)157916(10815)30131722(26(2728)29)3334(24(17)35)253218423520(18)3725h21330H1H3b1713+
MFCD06240691
STK078292
ZINC000008751330
ZINC8751330
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