Vitas-M small molecule compound
ethyl 1-(1,3-benzothiazol-2-yl)-5-(4-{[3-(dimethylamino)propyl]amino}-2,3,5,6-tetrafluorophenyl)-1H-pyrazole-4-carboxylate
Catalog ID
STK684196
SMILES CCOC(=O)c1cnn(c1c1c(F)c(F)c(c(c1F)F)NCCCN(C)C)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 C24H23F4N5O2S MW 521.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23F4N5O2S/c1-4-35-23(34)13-12-30-33(24-31-14-8-5-6-9-15(14)36-24)22(13)16-17(25)19(27)21(20(28)18(16)26)29-10-7-11-32(2)3/h5-6,8-9,12,29H,4,7,10-11H2,1-3H3InChIKey
AYEWEKAZWGXTBL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3S2)C4=C(C(=C(C(=C4F)F)NCCCN(C)C)F)F
ethyl1(13benzothiazol2yl)5(4((3(dimethylamino)propyl)amino)2356tetrafluorophenyl)1Hpyrazole4carboxylate
ethyl1(13benzothiazol2yl)5(4(3(dimethylamino)propylamino)2356tetrafluorophenyl)pyrazole4carboxylate
InChI=1SC24H23F4N5O2Sc143523(34)13123033(243114856915(14)3624)22(13)1617(25)19(27)21(20(28)18(16)26)291071132(2)3h56891229H471011H213H3
MFCD05259920
ZINC000012411199
ZINC12411199
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