Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(morpholin-4-yl)propylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK086331
SMILES CC/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/N1CCOCC1
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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 C18H17F3N4O2S MW 410.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F3N4O2S/c1-2-12(24-7-9-27-10-8-24)14-15(18(19,20)21)23-25(16(14)26)17-22-11-5-3-4-6-13(11)28-17/h3-6H,2,7-10H2,1H3/b14-12-InChIKey
WSOBZMIJPUBMNX-OWBHPGMISA-NSynonyms
371119-09-4(4Z)2(13BENZOTHIAZOL2YL)4(1(MORPHOLIN4YL)PROPYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)4(1MORPHOLIN4YLPROPYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(Z)1(benzo(d)thiazol2yl)4(1morpholinopropylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
371119094
CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)N4CCOCC4
CCC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)N1CCOCC1
InChI=1SC18H17F3N4O2Sc1212(24792710824)1415(18(1920)21)2325(16(14)26)172211534613(11)2817h36H2710H21H3b1412
MFCD01811074
STK086331
ZINC000001210462
ZINC01210462
ZINC1210462
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