Vitas-M small molecule compound

2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]acetohydrazide

Catalog ID
STK040752
SMILES COc1ccc(c(c1)/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1)OC

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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 C25H22ClN5O3S MW 508.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O3S/c1-33-21-12-13-22(34-2)18(14-21)15-27-28-23(32)16-35-25-30-29-24(17-6-4-3-5-7-17)31(25)20-10-8-19(26)9-11-20/h3-15H,16H2,1-2H3,(H,28,32)/b27-15+
InChIKey
SRPKHXSQCUGSIV-JFLMPSFJSA-N
Synonyms
315199-61-2
(E)2((4(4chlorophenyl)5phenyl4H124triazol3yl)thio)N(25dimethoxybenzylidene)acetohydrazide
2((4(4CHLOROPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)N((E)(25DIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((4(4CHLOROPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(25DIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
315199612
COC1=CC(=C(C=C1)OC)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4
COc1ccc(c(c1)C=NNC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1)OC
InChI=1SC25H22ClN5O3Sc13321121322(342)18(1421)15272823(32)163525302924(176435717)31(25)2010819(26)91120h315H16H212H3(H2832)b2715+
MFCD02075502
N((1E)2(25DIMETHOXYPHENYL)1AZAVINYL)2(4(4CHLOROPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
STK040752
ZINC000001742910
ZINC33342921

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Available files

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