Vitas-M small molecule compound

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

Catalog ID
STK077969
SMILES CCCOc1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccc(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 C30H33N5O2S MW 527.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O2S/c1-5-19-37-26-17-11-22(12-18-26)20-31-32-27(36)21-38-29-34-33-28(35(29)25-9-7-6-8-10-25)23-13-15-24(16-14-23)30(2,3)4/h6-18,20H,5,19,21H2,1-4H3,(H,32,36)/b31-20+
InChIKey
MJNJPVASJMZBLR-AJBULDERSA-N
Synonyms
361476-63-3
(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(4propoxybenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(4PROPOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(4PROPOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
361476633
CCCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C
CCCOc1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C
InChI=1SC30H33N5O2Sc15193726171122(121826)20313227(36)213829343328(35(29)2597681025)23131524(161423)30(23)4h61820H51921H214H3(H3236)b3120+
MFCD03220945
N((1E)2(4PROPOXYPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
STK077969
ZINC000002293539
ZINC33352361

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Available files

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