Vitas-M small molecule compound
(4E)-2-(4-bromophenyl)-4-({[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino}methylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295605
SMILES COc1ccc(cc1)c1nnc(s1)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)Br)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 C20H16BrN5O2S MW 470.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN5O2S/c1-12-17(19(27)26(25-12)15-7-5-14(21)6-8-15)11-22-20-24-23-18(29-20)13-3-9-16(28-2)10-4-13/h3-11H,1-2H3,(H,22,24)/b17-11+InChIKey
WGAVXUGKEAJFKU-GZTJUZNOSA-NSynonyms
(4E)2(4bromophenyl)4(((5(4methoxyphenyl)134thiadiazol2yl)amino)methylidene)5methyl24dihydro3Hpyrazol3one
(4E)2(4bromophenyl)4(((5(4methoxyphenyl)134thiadiazol2yl)amino)methylidene)5methylpyrazol3one
CC1=NN(C(=O)C1=CNC2=NN=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)Br
COc1ccc(cc1)c1nnc(s1)NC=C1C(=NN(C1=O)c1ccc(cc1)Br)C
InChI=1SC20H16BrN5O2Sc11217(19(27)26(2512)157514(21)6815)112220242318(2920)133916(282)10413h311H12H3(H2224)b1711+
MFCD28033049
ZINC000101114447
ZINC08435397
ZINC101114447
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