Vitas-M small molecule compound

(4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK042465
SMILES CCO/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/CC

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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 C16H14F3N3O2S MW 369.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F3N3O2S/c1-3-10(24-4-2)12-13(16(17,18)19)21-22(14(12)23)15-20-9-7-5-6-8-11(9)25-15/h5-8H,3-4H2,1-2H3/b12-10-
InChIKey
DKRILOFEVVVHRE-BENRWUELSA-N
Synonyms
352692-64-9
(4Z)2(13BENZOTHIAZOL2YL)4(1ETHOXYPROPYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)4(1ETHOXYPROPYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(Z)1(benzo(d)thiazol2yl)4(1ethoxypropylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL4(ETHOXYPROPYLIDENE)3(TRIFLUOROMETHYL)12DIAZOLIN5ONE
352692649
CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)OCC
CCOC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)CC
InChI=1SC16H14F3N3O2Sc1310(2442)1213(16(1718)19)2122(14(12)23)15209756811(9)2515h58H34H212H3b1210
MFCD01811059
STK042465
ZINC000001207764
ZINC01207764
ZINC1207764

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Available files

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