Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-[(morpholin-4-ylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK868350
SMILES O=C1N(N=C(/C/1=C\NN1CCOCC1)C(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 C16H14F3N5O2S MW 397.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F3N5O2S/c17-16(18,19)13-10(9-20-23-5-7-26-8-6-23)14(25)24(22-13)15-21-11-3-1-2-4-12(11)27-15/h1-4,9,20H,5-8H2/b10-9+InChIKey
OIASCIHEINGMIV-MDZDMXLPSA-NSynonyms
(4E)2(13benzothiazol2yl)4((morpholin4ylamino)methylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4((MORPHOLIN4YLAMINO)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4((morpholinoamino)methylene)3(trifluoromethyl)1Hpyrazol5(4H)onecompoundwithdimethylamine(11)
2(13BENZOTHIAZOL2YL)4((4MORPHOLINYLIMINO)METHYL)5(TRIFLUOROMETHYL)12DIHYDRO3HPYRAZOL3ONE
C1COCCN1NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F
InChI=1SC16H14F3N5O2Sc1716(1819)1310(9202357268623)14(25)24(2213)152111312412(11)2715h14920H58H2b109+
MFCD01957755
O=C1N(N=C(C1=CNN1CCOCC1)C(F)(F)F)c1nc2c(s1)cccc2
O=C1N(N=C(C1=CNN1CCOCC1)C(F)(F)F)c1nc2c(s1)cccc2CNC
ZINC000004825539
ZINC04825539
ZINC4825539
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