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,2Z)-2-methyl-3-[4-(propan-2-yl)phenyl]prop-2-en-1-ylidene}acetohydrazide
Catalog ID
STL170784
SMILES O=C(CSc1nnc(n1c1ccccc1)CNc1ccc(cc1C)I)N/N=C/C(=C\c1ccc(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 C31H33IN6OS MW 664.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33IN6OS/c1-21(2)25-12-10-24(11-13-25)16-22(3)18-34-36-30(39)20-40-31-37-35-29(38(31)27-8-6-5-7-9-27)19-33-28-15-14-26(32)17-23(28)4/h5-18,21,33H,19-20H2,1-4H3,(H,36,39)/b22-16-,34-18+InChIKey
HKUMWGMMBIRIED-JDPSAECDSA-NSynonyms
362500-02-52((5(((4iodo2methylphenyl)amino)methyl)4phenyl4H124triazol3yl)sulfanyl)N((1E2Z)2methyl3(4(propan2yl)phenyl)prop2en1ylidene)acetohydrazide
2((5((4iodo2methylanilino)methyl)4phenyl124triazol3yl)sulfanyl)N((E)((Z)2methyl3(4propan2ylphenyl)prop2enylidene)amino)acetamide
362500025
CC1=C(C=CC(=C1)I)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC(=CC4=CC=C(C=C4)C(C)C)C
InChI=1SC31H33IN6OSc121(2)25121024(111325)1622(3)18343630(39)204031373529(38(31)278657927)193328151426(32)1723(28)4h5182133H1920H214H3(H3639)b22163418+
MFCD01434061
O=C(CSc1nnc(n1c1ccccc1)CNc1ccc(cc1C)I)NN=CC(=Cc1ccc(cc1)C(C)C)C
ZINC000150455607
ZINC150544937
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