Vitas-M small molecule compound
2-(4-{(E)-[2-({[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenoxy)acetamide
Catalog ID
STL148095
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccccc2)c2cccc(c2)Br)ccc1OCC(=O)N
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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 C26H23BrN6O4S MW 595.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN6O4S/c1-36-22-12-17(10-11-21(22)37-15-23(28)34)14-29-30-24(35)16-38-26-32-31-25(18-6-5-7-19(27)13-18)33(26)20-8-3-2-4-9-20/h2-14H,15-16H2,1H3,(H2,28,34)(H,30,35)/b29-14+InChIKey
YXTIDIANVFEXRJ-IPPBACCNSA-NSynonyms
(E)2(4((2(2((5(3bromophenyl)4phenyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)2methoxyphenoxy)acetamide
2(4((E)((2((5(3BROMOPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENOXY)ACETAMIDE
2(4((E)(2(((5(3bromophenyl)4phenyl4H124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)2methoxyphenoxy)acetamide
COC1=C(C=CC(=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Br)OCC(=O)N
COc1cc(C=NNC(=O)CSc2nnc(n2c2ccccc2)c2cccc(c2)Br)ccc1OCC(=O)N
InChI=1SC26H23BrN6O4Sc136221217(101121(22)371523(28)34)14293024(35)163826323125(1865719(27)1318)33(26)208324920h214H1516H21H3(H22834)(H3035)b2914+
MFCD01905990
ZINC000001839654
ZINC100311036
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