Vitas-M small molecule compound
(7Z)-7-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methylidene]-3-(difluoromethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Catalog ID
STL402149
SMILES CCn1ncc(c1/C=c/1\sc2nnc(n2nc1c1ccccc1)C(F)F)Br
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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 C17H13BrF2N6S MW 451.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrF2N6S/c1-2-25-12(11(18)9-21-25)8-13-14(10-6-4-3-5-7-10)24-26-16(15(19)20)22-23-17(26)27-13/h3-9,15H,2H2,1H3/b13-8-InChIKey
YZMKZDCCMXRDEJ-JYRVWZFOSA-NSynonyms
1005696-10-5(7Z)7((4bromo1ethyl1Hpyrazol5yl)methylidene)3(difluoromethyl)6phenyl7H(124)triazolo(34b)(134)thiadiazine
(7Z)7((4BROMO2ETHYLPYRAZOL3YL)METHYLIDENE)3(DIFLUOROMETHYL)6PHENYL(124)TRIAZOLO(34B)(134)THIADIAZINE
1005696105
CCN1C(=C(C=N1)Br)C=C2C(=NN3C(=NN=C3S2)C(F)F)C4=CC=CC=C4
CCn1ncc(c1C=c1sc2nnc(n2nc1c1ccccc1)C(F)F)Br
InChI=1SC17H13BrF2N6Sc122512(11(18)92125)81314(106435710)242616(15(19)20)222317(26)2713h3915H2H21H3b138
MFCD04129259
ZINC000022531437
ZINC22531437
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