Vitas-M small molecule compound
N'-[(E)-(4-bromophenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STK999353
SMILES COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C/c1ccc(cc1)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 C21H22BrN5O3S MW 504.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O3S/c1-4-27-20(15-7-10-17(29-2)18(11-15)30-3)25-26-21(27)31-13-19(28)24-23-12-14-5-8-16(22)9-6-14/h5-12H,4,13H2,1-3H3,(H,24,28)/b23-12+InChIKey
QUBHRFCHMXXQKU-FSJBWODESA-NSynonyms
488110-03-8(E)N(4bromobenzylidene)2((5(34dimethoxyphenyl)4ethyl4H124triazol3yl)thio)acetohydrazide
488110038
CCN1C(=NN=C1SCC(=O)NN=CC2=CC=C(C=C2)Br)C3=CC(=C(C=C3)OC)OC
COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)NN=Cc1ccc(cc1)Br
InChI=1SC21H22BrN5O3Sc142720(1571017(292)18(1115)303)252621(27)311319(28)242312145816(22)9614h512H413H213H3(H2428)b2312+
MFCD03218559
N((1E)2(4BROMOPHENYL)1AZAVINYL)2(5(34DIMETHOXYPHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)(4bromophenyl)methylidene)2((5(34dimethoxyphenyl)4ethyl4H124triazol3yl)sulfanyl)acetohydrazide
N((E)(4BROMOPHENYL)METHYLIDENEAMINO)2((5(34DIMETHOXYPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001242479
ZINC33329924
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