Vitas-M small molecule compound
methyl 4-{(E)-[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Catalog ID
STK084296
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)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 C29H29N5O3S MW 527.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O3S/c1-29(2,3)23-16-14-21(15-17-23)26-32-33-28(34(26)24-8-6-5-7-9-24)38-19-25(35)31-30-18-20-10-12-22(13-11-20)27(36)37-4/h5-18H,19H2,1-4H3,(H,31,35)/b30-18+InChIKey
LVUOXSIZEIKFPY-UXHLAJHPSA-NSynonyms
361476-76-8(E)methyl4((2(2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoate
361476768
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C
InChI=1SC29H29N5O3Sc129(23)23161421(151723)26323328(34(26)248657924)381925(35)31301820101222(131120)27(36)374h518H19H214H3(H3135)b3018+
METHYL4((1E)2(2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOATE
METHYL4((E)((2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
METHYL4((E)(2(((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
MFCD02641876
STK084296
ZINC000002341528
ZINC33361918
Check stock
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