Vitas-M small molecule compound
4-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate
Catalog ID
STK107419
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(c(c2)OC)OC(=O)C)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 C31H33N5O5S MW 587.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O5S/c1-20(37)41-26-16-7-21(17-27(26)40-6)18-32-33-28(38)19-42-30-35-34-29(22-8-10-23(11-9-22)31(2,3)4)36(30)24-12-14-25(39-5)15-13-24/h7-18H,19H2,1-6H3,(H,33,38)/b32-18+InChIKey
FKNFIXGHQSRCBK-KCSSXMTESA-NSynonyms
(4((E)((2((5(4tertbutylphenyl)4(4methoxyphenyl)124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)2methoxyphenyl)acetate
(E)4((2(2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)acetyl)hydrazono)methyl)2methoxyphenylacetate
4((1E)2(2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)2METHOXYPHENYLACETATE
4((E)(2(((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C)OC
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC31H33N5O5Sc120(37)412616721(1727(26)406)18323328(38)194230353429(2281023(11922)31(23)4)36(30)24121425(395)151324h718H19H216H3(H3338)b3218+
MFCD03220021
ZINC000100852116
ZINC101510787
Check stock
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Check stock on Vitas-MAvailable files
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