Vitas-M small molecule compound
methyl 4-[(E)-{[3-(4-tert-butylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Catalog ID
STK573716
SMILES COC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccc(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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-21(2,3)17-11-9-15(10-12-17)18-23-24-20(28)25(18)22-13-14-5-7-16(8-6-14)19(26)27-4/h5-13H,1-4H3,(H,24,28)/b22-13+InChIKey
XRTQDRZTEPTRGJ-LPYMAVHISA-NSynonyms
497247-14-0497247140
COC(=O)c1ccc(cc1)C=Nn1c(=S)(nH)nc1c1ccc(cc1)C(C)(C)C
InChI=1SC21H22N4O2Sc121(23)1711915(101217)18232420(28)25(18)2213145716(8614)19(26)274h513H14H3(H2428)b2213+
methyl4((E)((3(4tertbutylphenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoate
methyl4((E)(3(4tertbutylphenyl)5sulfanylidene1H124triazol4yl)iminomethyl)benzoate
MFCD07197799
ZINC000006212347
ZINC12467090
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