Vitas-M small molecule compound

1-{3,5-bis[(2-chloro-6-fluorobenzyl)amino]-1H-1,2,4-triazol-1-yl}butan-1-one

Catalog ID
STK179034
SMILES CCCC(=O)n1nc(nc1NCc1c(F)cccc1Cl)NCc1c(F)cccc1Cl

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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 C20H19Cl2F2N5O MW 454.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Cl2F2N5O/c1-2-5-18(30)29-20(26-11-13-15(22)7-4-9-17(13)24)27-19(28-29)25-10-12-14(21)6-3-8-16(12)23/h3-4,6-9H,2,5,10-11H2,1H3,(H2,25,26,27,28)
InChIKey
VLERQSTYWQWVCJ-UHFFFAOYSA-N
Synonyms

1(35BIS((2CHLORO6FLUOROBENZYL)AMINO)1H124TRIAZOL1YL)BUTAN1ONE
1(35bis((2chloro6fluorophenyl)methylamino)124triazol1yl)butan1one
CCCC(=O)N1C(=NC(=N1)NCC2=C(C=CC=C2Cl)F)NCC3=C(C=CC=C3Cl)F
InChI=1SC20H19Cl2F2N5Oc12518(30)2920(26111315(22)74917(13)24)2719(2829)25101214(21)63816(12)23h3469H251011H21H3(H225262728)
MFCD06664089
ZINC000009948691
ZINC09948691
ZINC9948691

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Available files

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