Vitas-M small molecule compound
methyl 4-({[3-(4-tert-butylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)benzoate
Catalog ID
STK108933
SMILES COC(=O)c1ccc(cc1)/C=N/n1c(S)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 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)InChIKey
XRTQDRZTEPTRGJ-UHFFFAOYSA-NSynonyms
(E)methyl4(((3(4(tertbutyl)phenyl)5mercapto4H124triazol4yl)imino)methyl)benzoate
CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)C=Nn1c(S)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC21H22N4O2Sc121(23)1711915(101217)18232420(28)25(18)2213145716(8614)19(26)274h513H14H3(H2428)
METHYL4(((3(4TERTBUTYLPHENYL)5SULFANYL4H124TRIAZOL4YL)IMINO)METHYL)BENZOATE
METHYL4((1E)2(5(4(TERTBUTYL)PHENYL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)BENZOATE
METHYL4((3(4TERTBUTYLPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOATE
MFCD03218223
ZINC000252429509
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