Vitas-M small molecule compound

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

Catalog ID
STK105796
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(cc2)C(C)(C)C)nnc1c1ccc(cc1)Cl

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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 C29H30ClN5O2S MW 548.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClN5O2S/c1-5-37-25-16-14-24(15-17-25)35-27(21-8-12-23(30)13-9-21)33-34-28(35)38-19-26(36)32-31-18-20-6-10-22(11-7-20)29(2,3)4/h6-18H,5,19H2,1-4H3,(H,32,36)/b31-18+
InChIKey
LONAGRJULVOIIN-FDAWAROLSA-N
Synonyms
487031-98-1
(E)N(4(tertbutyl)benzylidene)2((5(4chlorophenyl)4(4ethoxyphenyl)4H124triazol3yl)thio)acetohydrazide
487031981
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)Cl
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(cc2)C(C)(C)C)nnc1c1ccc(cc1)Cl
InChI=1SC29H30ClN5O2Sc153725161424(151725)3527(2181223(30)13921)333428(35)381926(36)3231182061022(11720)29(23)4h618H519H214H3(H3236)b3118+
MFCD03220306
N((1E)2(4(TERTBUTYL)PHENYL)1AZAVINYL)2(5(4CHLOROPHENYL)4(4ETHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)(4TERTBUTYLPHENYL)METHYLIDENE)2((5(4CHLOROPHENYL)4(4ETHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETOHYDRAZIDE
N((E)(4TERTBUTYLPHENYL)METHYLIDENEAMINO)2((5(4CHLOROPHENYL)4(4ETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001906191
ZINC101509169

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Available files

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