Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Catalog ID
STK017585
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccccc2)c2ccc(cc2)C(C)(C)C)cc(c1OC)OC
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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 C30H33N5O4S MW 559.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O4S/c1-30(2,3)22-14-12-21(13-15-22)28-33-34-29(35(28)23-10-8-7-9-11-23)40-19-26(36)32-31-18-20-16-24(37-4)27(39-6)25(17-20)38-5/h7-18H,19H2,1-6H3,(H,32,36)/b31-18+InChIKey
YNRFNXXKMYSMSJ-FDAWAROLSA-NSynonyms
(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(345trimethoxybenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(345TRIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(345TRIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC(=C(C(=C4)OC)OC)OC
COc1cc(C=NNC(=O)CSc2nnc(n2c2ccccc2)c2ccc(cc2)C(C)(C)C)cc(c1OC)OC
InChI=1SC30H33N5O4Sc130(23)22141221(131522)28333429(35(28)23108791123)401926(36)323118201624(374)27(396)25(1720)385h718H19H216H3(H3236)b3118+
MFCD02641880
STK017585
ZINC000002597489
ZINC101399164
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.