Vitas-M small molecule compound
2-{2-[4-(3-chloro-4-fluorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
Catalog ID
STK611784
SMILES Fc1ccc(cc1Cl)n1c(n[nH]c1=S)CCn1ncc2c(c1=O)cccc2
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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 C18H13ClFN5OS MW 401.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClFN5OS/c19-14-9-12(5-6-15(14)20)25-16(22-23-18(25)27)7-8-24-17(26)13-4-2-1-3-11(13)10-21-24/h1-6,9-10H,7-8H2,(H,23,27)InChIKey
HFYKZDVJXLVKBC-UHFFFAOYSA-NSynonyms
878441-81-72(2(4(3CHLORO4FLUOROPHENYL)5SULFANYLIDENE1H124TRIAZOL3YL)ETHYL)PHTHALAZIN1ONE
2(2(4(3chloro4fluorophenyl)5thioxo45dihydro1H124triazol3yl)ethyl)phthalazin1(2H)one
878441817
C1=CC=C2C(=C1)C=NN(C2=O)CCC3=NNC(=S)N3C4=CC(=C(C=C4)F)Cl
Fc1ccc(cc1Cl)n1c(n(nH)c1=S)CCn1ncc2c(c1=O)cccc2
InChI=1SC18H13ClFN5OSc1914912(5615(14)20)2516(222318(25)27)782417(26)13421311(13)102124h16910H78H2(H2327)
MFCD08732553
ZINC000008738194
ZINC08738194
ZINC8738194
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