Vitas-M small molecule compound

2-[(5-{[(4-iodo-2-methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-(3-methoxyphenyl)methylidene]propanehydrazide

Catalog ID
STL171251
SMILES COc1cccc(c1)/C=N/NC(=O)C(Sc1nnc(n1c1ccccc1)CNc1ccc(cc1C)I)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 C27H27IN6O2S MW 626.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27IN6O2S/c1-18-14-21(28)12-13-24(18)29-17-25-31-33-27(34(25)22-9-5-4-6-10-22)37-19(2)26(35)32-30-16-20-8-7-11-23(15-20)36-3/h4-16,19,29H,17H2,1-3H3,(H,32,35)/b30-16+
InChIKey
OTYTVPUDHOSGTC-OKCVXOCRSA-N
Synonyms

2((5(((4iodo2methylphenyl)amino)methyl)4phenyl4H124triazol3yl)sulfanyl)N((E)(3methoxyphenyl)methylidene)propanehydrazide
2((5((4iodo2methylanilino)methyl)4phenyl124triazol3yl)sulfanyl)N((E)(3methoxyphenyl)methylideneamino)propanamide
CC1=C(C=CC(=C1)I)NCC2=NN=C(N2C3=CC=CC=C3)SC(C)C(=O)NN=CC4=CC(=CC=C4)OC
COc1cccc(c1)C=NNC(=O)C(Sc1nnc(n1c1ccccc1)CNc1ccc(cc1C)I)C
InChI=1SC27H27IN6O2Sc1181421(28)121324(18)291725313327(34(25)2295461022)3719(2)26(35)32301620871123(1520)363h4161929H17H213H3(H3235)b3016+
MFCD01432765
ZINC000102436654
ZINC000102436657

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Available files

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