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Vitas-M small molecule compound

(4E)-2-(1,3-benzothiazol-2-yl)-4-({[2-(morpholin-4-yl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK077328
SMILES O=C1N(N=C(/C/1=C\NCCN1CCOCC1)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 C18H18F3N5O2S MW 425.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18F3N5O2S/c19-18(20,21)15-12(11-22-5-6-25-7-9-28-10-8-25)16(27)26(24-15)17-23-13-3-1-2-4-14(13)29-17/h1-4,11,22H,5-10H2/b12-11+
InChIKey
VPYXGWPEJSDSCV-VAWYXSNFSA-N
Synonyms

(4E)2(13BENZOTHIAZOL2YL)4(((2(MORPHOLIN4YL)ETHYL)AMINO)METHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4((2MORPHOLIN4YLETHYLAMINO)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(((2morpholinoethyl)amino)methylene)3(trifluoromethyl)1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL4(((2MORPHOLIN4YLETHYL)AMINO)METHYLENE)3(TRIFLUOROMETHYL)12DIAZOLIN5ONE
2(13BENZOTHIAZOL2YL)4(((2(4MORPHOLINYL)ETHYL)IMINO)METHYL)5(TRIFLUOROMETHYL)12DIHYDRO3HPYRAZOL3ONE
4((1E)4MORPHOLIN4YL2AZABUT1ENYL)1BENZOTHIAZOL2YL3(TRIFLUOROMETHYL)3PYRAZOLIN5ONE
C1COCCN1CCNC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F
InChI=1SC18H18F3N5O2Sc1918(2021)1512(11225625792810825)16(27)26(2415)172313312414(13)2917h141122H510H2b1211+
MFCD01210638
O=C1N(N=C(C1=CNCCN1CCOCC1)C(F)(F)F)c1nc2c(s1)cccc2
STK077328
ZINC000019360016
ZINC19360016

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Available files

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