Vitas-M small molecule compound

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

Catalog ID
STK109143
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(cc2)C(C)C)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 C31H35N5O2S MW 541.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N5O2S/c1-21(2)23-9-7-22(8-10-23)19-32-33-28(37)20-39-30-35-34-29(24-11-13-25(14-12-24)31(3,4)5)36(30)26-15-17-27(38-6)18-16-26/h7-19,21H,20H2,1-6H3,(H,33,37)/b32-19+
InChIKey
QCAIMIJWHZGPEG-BIZUNTBRSA-N
Synonyms
488810-59-9
(E)2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(4isopropylbenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(4PROPAN2YLPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(4(PROPAN2YL)PHENYL)METHYLIDENE)ACETOHYDRAZIDE
488810599
CC(C)C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(cc2)C(C)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC31H35N5O2Sc121(2)239722(81023)19323328(37)203930353429(24111325(141224)31(34)5)36(30)26151727(386)181626h71921H20H216H3(H3337)b3219+
MFCD03220054
N((1E)2(4(METHYLETHYL)PHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001841241
ZINC101513082

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Available files

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