Vitas-M small molecule compound
N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STK103748
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccc(cc2)OC)c2ccc(cc2)C(C)(C)C)ccc1OCc1ccccc1
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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 C36H37N5O4S MW 635.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37N5O4S/c1-36(2,3)28-14-12-27(13-15-28)34-39-40-35(41(34)29-16-18-30(43-4)19-17-29)46-24-33(42)38-37-22-26-11-20-31(32(21-26)44-5)45-23-25-9-7-6-8-10-25/h6-22H,23-24H2,1-5H3,(H,38,42)/b37-22+InChIKey
RXXVPYQAUQJVOS-SEBMTOOBSA-NSynonyms
(E)N(4(benzyloxy)3methoxybenzylidene)2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)acetohydrazide
2((5(4tertbutylphenyl)4(4methoxyphenyl)124triazol3yl)sulfanyl)N((E)(3methoxy4phenylmethoxyphenyl)methylideneamino)acetamide
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NN=CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OC
COc1cc(C=NNC(=O)CSc2nnc(n2c2ccc(cc2)OC)c2ccc(cc2)C(C)(C)C)ccc1OCc1ccccc1
InChI=1SC36H37N5O4Sc136(23)28141227(131528)34394035(41(34)29161830(434)191729)462433(42)38372226112031(32(2126)445)45232597681025h622H2324H215H3(H3842)b3722+
MFCD03220106
N((1E)2(3METHOXY4(PHENYLMETHOXY)PHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)(4(BENZYLOXY)3METHOXYPHENYL)METHYLIDENE)2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETOHYDRAZIDE
ZINC000100852069
ZINC101507091
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