Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{[(4-ethoxyphenyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL446379
SMILES CCOc1ccc(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 C20H15F3N4O2S MW 432.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15F3N4O2S/c1-2-29-13-9-7-12(8-10-13)24-11-14-17(20(21,22)23)26-27(18(14)28)19-25-15-5-3-4-6-16(15)30-19/h3-11,24H,2H2,1H3/b14-11-InChIKey
MUYODFURZBRBCB-KAMYIIQDSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(((4ethoxyphenyl)amino)methylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4((4ETHOXYANILINO)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
CCOC1=CC=C(C=C1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F
CCOc1ccc(cc1)NC=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2
InChI=1SC20H15F3N4O2Sc1229139712(81013)24111417(20(2122)23)2627(18(14)28)192515534616(15)3019h31124H2H21H3b1411
MFCD06240657
ZINC000101390304
ZINC101390304
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