Vitas-M small molecule compound
2-[(5-{[(4-iodo-2-methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]propanehydrazide
Catalog ID
STL171252
SMILES O=C(C(Sc1nnc(n1c1ccccc1)CNc1ccc(cc1C)I)C)N/N=C/C=C/c1ccccc1
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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 C28H27IN6OS MW 622.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27IN6OS/c1-20-18-23(29)15-16-25(20)30-19-26-32-34-28(35(26)24-13-7-4-8-14-24)37-21(2)27(36)33-31-17-9-12-22-10-5-3-6-11-22/h3-18,21,30H,19H2,1-2H3,(H,33,36)/b12-9+,31-17+InChIKey
QPVYKWIVQROQOE-YMOPVWAJSA-NSynonyms
760202-11-72((5(((4iodo2methylphenyl)amino)methyl)4phenyl4H124triazol3yl)sulfanyl)N((1E2E)3phenylprop2en1ylidene)propanehydrazide
2((5((4iodo2methylanilino)methyl)4phenyl124triazol3yl)sulfanyl)N((E)((E)3phenylprop2enylidene)amino)propanamide
760202117
CC1=C(C=CC(=C1)I)NCC2=NN=C(N2C3=CC=CC=C3)SC(C)C(=O)NN=CC=CC4=CC=CC=C4
InChI=1SC28H27IN6OSc1201823(29)151625(20)301926323428(35(26)24137481424)3721(2)27(36)33311791222105361122h3182130H19H212H3(H3336)b129+3117+
MFCD01432865
O=C(C(Sc1nnc(n1c1ccccc1)CNc1ccc(cc1C)I)C)NN=CC=Cc1ccccc1
ZINC000102436679
ZINC000102436683
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