Vitas-M small molecule compound
(4E)-4-({[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino}methylidene)-5-methyl-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295617
SMILES COc1ccc(cc1)c1nnc(s1)N/C=C/1\C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)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 C20H14Cl3N5O2S MW 494.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Cl3N5O2S/c1-10-14(19(29)28(27-10)17-15(22)7-12(21)8-16(17)23)9-24-20-26-25-18(31-20)11-3-5-13(30-2)6-4-11/h3-9H,1-2H3,(H,24,26)/b14-9+InChIKey
BPSOBEVGTSCXID-NTEUORMPSA-NSynonyms
(4E)4(((5(4methoxyphenyl)134thiadiazol2yl)amino)methylidene)5methyl2(246trichlorophenyl)24dihydro3Hpyrazol3one
(4E)4(((5(4methoxyphenyl)134thiadiazol2yl)amino)methylidene)5methyl2(246trichlorophenyl)pyrazol3one
CC1=NN(C(=O)C1=CNC2=NN=C(S2)C3=CC=C(C=C3)OC)C4=C(C=C(C=C4Cl)Cl)Cl
COc1ccc(cc1)c1nnc(s1)NC=C1C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)C
InChI=1SC20H14Cl3N5O2Sc11014(19(29)28(2710)1715(22)712(21)816(17)23)92420262518(3120)113513(302)6411h39H12H3(H2426)b149+
MFCD28033056
ZINC000101113894
ZINC08435403
ZINC101113894
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