Vitas-M small molecule compound
4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-(4-tert-butylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL147891
SMILES S=c1[nH]nc(n1/N=C/c1ccc(cc1)OCc1ccccc1)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 C26H26N4OS MW 442.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4OS/c1-26(2,3)22-13-11-21(12-14-22)24-28-29-25(32)30(24)27-17-19-9-15-23(16-10-19)31-18-20-7-5-4-6-8-20/h4-17H,18H2,1-3H3,(H,29,32)/b27-17+InChIKey
LGYHSGZFCNGXQQ-WPWMEQJKSA-NSynonyms
497083-67-73(4TERTBUTYLPHENYL)4((E)(4PHENYLMETHOXYPHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
4(((E)(4(benzyloxy)phenyl)methylidene)amino)5(4tertbutylphenyl)24dihydro3H124triazole3thione
497083677
InChI=1SC26H26N4OSc126(23)22131121(121422)24282925(32)30(24)27171991523(161019)3118207546820h417H18H213H3(H2932)b2717+
MFCD03800340
S=c1(nH)nc(n1N=Cc1ccc(cc1)OCc1ccccc1)c1ccc(cc1)C(C)(C)C
ZINC000002695937
ZINC09762902
ZINC9762902
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