Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]acetohydrazide

Catalog ID
STK548936
SMILES CCn1c(SCC(=O)N/N=C/C(=C/c2ccccc2)/Cl)nnc1c1ccc(cc1)C(C)(C)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 C25H28ClN5OS MW 482.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClN5OS/c1-5-31-23(19-11-13-20(14-12-19)25(2,3)4)29-30-24(31)33-17-22(32)28-27-16-21(26)15-18-9-7-6-8-10-18/h6-16H,5,17H2,1-4H3,(H,28,32)/b21-15-,27-16+
InChIKey
DZVSCSOMXCELSB-KNGTWFMJSA-N
Synonyms
612810-99-8
(E)2((5(4(tertbutyl)phenyl)4ethyl4H124triazol3yl)thio)N((Z)2chloro3phenylallylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((E)((Z)2CHLORO3PHENYLPROP2ENYLIDENE)AMINO)ACETAMIDE
2((5(4tertbutylphenyl)4ethyl4H124triazol3yl)sulfanyl)N((1E2Z)2chloro3phenylprop2en1ylidene)acetohydrazide
612810998
CCN1C(=NN=C1SCC(=O)NN=CC(=CC2=CC=CC=C2)Cl)C3=CC=C(C=C3)C(C)(C)C
CCn1c(SCC(=O)NN=CC(=Cc2ccccc2)Cl)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC25H28ClN5OSc153123(19111320(141219)25(23)4)293024(31)331722(32)28271621(26)151897681018h616H517H214H3(H2832)b21152716+
MFCD03219149
N((3Z1E)3CHLORO4PHENYL1AZABUTA13DIENYL)2(5(4(TERTBUTYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001828020
ZINC33371566

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Available files

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