Vitas-M small molecule compound
N'-[(E)-(4-fluorophenyl)methylidene]-2-{[5-{[(4-iodophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanehydrazide
Catalog ID
STL172521
SMILES C=CCn1c(nnc1CNc1ccc(cc1)I)SC(C(=O)N/N=C/c1ccc(cc1)F)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 C22H22FIN6OS MW 564.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FIN6OS/c1-3-12-30-20(14-25-19-10-8-18(24)9-11-19)27-29-22(30)32-15(2)21(31)28-26-13-16-4-6-17(23)7-5-16/h3-11,13,15,25H,1,12,14H2,2H3,(H,28,31)/b26-13+InChIKey
DTDONZUDSCGEEE-LGJNPRDNSA-NSynonyms
570417-78-62((4ALLYL5((4IODOANILINO)METHYL)4H124TRIAZOL3YL)SULFANYL)N(4FLUOROBENZYLIDENE)PROPANOHYDRAZIDE
570417786
C=CCn1c(nnc1CNc1ccc(cc1)I)SC(C(=O)NN=Cc1ccc(cc1)F)C
CC(C(=O)NN=CC1=CC=C(C=C1)F)SC2=NN=C(N2CC=C)CNC3=CC=C(C=C3)I
InChI=1SC22H22FIN6OSc13123020(14251910818(24)91119)272922(30)3215(2)21(31)282613164617(23)7516h311131525H11214H22H3(H2831)b2613+
MFCD01436616
N((E)(4fluorophenyl)methylidene)2((5(((4iodophenyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)propanehydrazide
N((E)(4fluorophenyl)methylideneamino)2((5((4iodoanilino)methyl)4prop2enyl124triazol3yl)sulfanyl)propanamide
ZINC000002097630
ZINC000002097634
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