Vitas-M small molecule compound

(7E)-7-({5-[(3-bromophenoxy)methyl]furan-2-yl}methylidene)-3-(difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Catalog ID
STK303217
SMILES Brc1cccc(c1)OCc1ccc(o1)/C=c\1/sc2nnc(n2nc1C)C(F)F

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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 C18H13BrF2N4O2S MW 467.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13BrF2N4O2S/c1-10-15(28-18-23-22-17(16(20)21)25(18)24-10)8-13-5-6-14(27-13)9-26-12-4-2-3-11(19)7-12/h2-8,16H,9H2,1H3/b15-8+
InChIKey
WJOXFCDEHNRYID-OVCLIPMQSA-N
Synonyms
827592-53-0
(7E)7((5((3bromophenoxy)methyl)furan2yl)methylidene)3(difluoromethyl)6methyl(124)triazolo(34b)(134)thiadiazine
(7E)7((5((3bromophenoxy)methyl)furan2yl)methylidene)3(difluoromethyl)6methyl7H(124)triazolo(34b)(134)thiadiazine
827592530
Brc1cccc(c1)OCc1ccc(o1)C=c1sc2nnc(n2nc1C)C(F)F
CC1=NN2C(=NN=C2SC1=CC3=CC=C(O3)COC4=CC(=CC=C4)Br)C(F)F
InChI=1SC18H13BrF2N4O2Sc11015(2818232217(16(20)21)25(18)2410)8135614(2713)9261242311(19)712h2816H9H21H3b158+
MFCD04051439
ZINC000002774842
ZINC2774842

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Available files

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