Vitas-M small molecule compound

4-{[4-(pentyloxy)benzylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK110749
SMILES CCCCCOc1ccc(cc1)/C=N\n1c(S)nnc1c1ccccc1

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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 C20H22N4OS MW 366.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4OS/c1-2-3-7-14-25-18-12-10-16(11-13-18)15-21-24-19(22-23-20(24)26)17-8-5-4-6-9-17/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,23,26)/b21-15-
InChIKey
FPNJTABJICDEAD-QNGOZBTKSA-N
Synonyms

(E)4((4(pentyloxy)benzylidene)amino)5phenyl4H124triazole3thiol
4((4(pentyloxy)benzylidene)amino)5phenyl4H124triazole3thiol
4((Z)(4PENTOXYPHENYL)METHYLIDENEAMINO)3PHENYL1H124TRIAZOLE5THIONE
CCCCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3
InChI=1SC20H22N4OSc1237142518121016(111318)15212419(222320(24)26)178546917h4681315H23714H21H3(H2326)b2115
MFCD03218340
ZINC000002357786
ZINC000239046370
ZINC05860643
ZINC5860643

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Available files

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