Vitas-M small molecule compound
N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-2-[(5-{[(4-methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide
Catalog ID
STL171226
SMILES COc1ccc(cc1/C=N/NC(=O)C(Sc1nnc(n1c1ccccc1)CNc1ccc(cc1)C)C)Br
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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 C27H27BrN6O2S MW 579.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrN6O2S/c1-18-9-12-22(13-10-18)29-17-25-31-33-27(34(25)23-7-5-4-6-8-23)37-19(2)26(35)32-30-16-20-15-21(28)11-14-24(20)36-3/h4-16,19,29H,17H2,1-3H3,(H,32,35)/b30-16+InChIKey
AQWQLKSJLCDMLB-OKCVXOCRSA-NSynonyms
834907-83-4834907834
CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SC(C)C(=O)NN=CC4=C(C=CC(=C4)Br)OC
COc1ccc(cc1C=NNC(=O)C(Sc1nnc(n1c1ccccc1)CNc1ccc(cc1)C)C)Br
InChI=1SC27H27BrN6O2Sc11891222(131018)291725313327(34(25)237546823)3719(2)26(35)323016201521(28)111424(20)363h4161929H17H213H3(H3235)b3016+
MFCD01431586
N((E)(5bromo2methoxyphenyl)methylidene)2((5(((4methylphenyl)amino)methyl)4phenyl4H124triazol3yl)sulfanyl)propanehydrazide
N((E)(5bromo2methoxyphenyl)methylideneamino)2((5((4methylanilino)methyl)4phenyl124triazol3yl)sulfanyl)propanamide
ZINC000002738872
ZINC000002738874
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