Vitas-M small molecule compound
(7Z)-7-{4-[(3-chlorobenzyl)oxy]-3-ethoxybenzylidene}-3-(difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Catalog ID
STK303604
SMILES CCOc1cc(ccc1OCc1cccc(c1)Cl)/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 C22H19ClF2N4O2S MW 476.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClF2N4O2S/c1-3-30-18-10-14(7-8-17(18)31-12-15-5-4-6-16(23)9-15)11-19-13(2)28-29-21(20(24)25)26-27-22(29)32-19/h4-11,20H,3,12H2,1-2H3/b19-11-InChIKey
NNXYCPNGIWREFV-ODLFYWEKSA-NSynonyms
827593-56-6(7Z)7((4((3CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)METHYLIDENE)3(DIFLUOROMETHYL)6METHYL(124)TRIAZOLO(34B)(134)THIADIAZINE
(7Z)7(4((3chlorobenzyl)oxy)3ethoxybenzylidene)3(difluoromethyl)6methyl7H(124)triazolo(34b)(134)thiadiazine
827593566
CCOC1=C(C=CC(=C1)C=C2C(=NN3C(=NN=C3S2)C(F)F)C)OCC4=CC(=CC=C4)Cl
CCOc1cc(ccc1OCc1cccc(c1)Cl)C=c1sc2nnc(n2nc1C)C(F)F
InChI=1SC22H19ClF2N4O2Sc1330181014(7817(18)31121554616(23)915)111913(2)282921(20(24)25)262722(29)3219h41120H312H212H3b1911
MFCD04051444
ZINC000013958449
ZINC13958449
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