Vitas-M small molecule compound

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

Catalog ID
STK101748
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/C=C/c2ccccc2)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 C30H31N5O2S MW 525.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N5O2S/c1-30(2,3)24-14-12-23(13-15-24)28-33-34-29(35(28)25-16-18-26(37-4)19-17-25)38-21-27(36)32-31-20-8-11-22-9-6-5-7-10-22/h5-20H,21H2,1-4H3,(H,32,36)/b11-8+,31-20+
InChIKey
ZSQUQKITEGEFQF-ROTWHSIKSA-N
Synonyms
489405-81-4
(E)2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N((E)3phenylallylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((E)((E)3PHENYLPROP2ENYLIDENE)AMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1E2E)3PHENYLPROP2EN1YLIDENE)ACETOHYDRAZIDE
489405814
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NN=CC=CC4=CC=CC=C4
COc1ccc(cc1)n1c(SCC(=O)NN=CC=Cc2ccccc2)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC30H31N5O2Sc130(23)24141223(131524)28333429(35(28)25161826(374)191725)382127(36)3231208112296571022h520H21H214H3(H3236)b118+3120+
MFCD03220056
N((1E3E)4PHENYL1AZABUTA13DIENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001829002
ZINC33511541

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Available files

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