Vitas-M small molecule compound

N'-{(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanehydrazide

Catalog ID
STK143076
SMILES CC(CC(=O)NN/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C)C

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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/c1-9(2)8-13(27)24-23-10(3)14-15(18(19,20)21)25-26(16(14)28)17-22-11-6-4-5-7-12(11)29-17/h4-7,9,23H,8H2,1-3H3,(H,24,27)/b14-10+
InChIKey
IHRIIVOIGCPXEW-GXDHUFHOSA-N
Synonyms

(E)N(1(1(benzo(d)thiazol2yl)5oxo3(trifluoromethyl)1Hpyrazol4(5H)ylidene)ethyl)3methylbutanehydrazide
3METHYLBUTYRICACIDN(1(1BENZOTHIAZOL2YL5OXO3TRIFLUOROMETHYL15DIHYDROPYRAZOL(4E)YLIDENE)ETHYL)HYDRAZIDE
CC(C)CC(=O)NNC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)C
CC(CC(=O)NNC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)C)C
InChI=1SC18H18F3N5O2Sc19(2)813(27)242310(3)1415(18(1920)21)2526(16(14)28)172211645712(11)2917h47923H8H213H3(H2427)b1410+
MFCD02375691
N((1E)1(1(13BENZOTHIAZOL2YL)5OXO3(TRIFLUOROMETHYL)15DIHYDRO4HPYRAZOL4YLIDENE)ETHYL)3METHYLBUTANEHYDRAZIDE
N((1E)1(1(13BENZOTHIAZOL2YL)5OXO3(TRIFLUOROMETHYL)PYRAZOL4YLIDENE)ETHYL)3METHYLBUTANEHYDRAZIDE
N(1(1(13BENZOTHIAZOL2YL)5OXO3(TRIFLUOROMETHYL)15DIHYDRO4HPYRAZOL4YLIDENE)ETHYL)3METHYLBUTANOHYDRAZIDE
ZINC000008432392
ZINC08432392
ZINC8432392

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Available files

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