Vitas-M small molecule compound
N-{4-[3-acetyl-5-{5-chloro-2-[(2-fluorobenzyl)oxy]phenyl}-1-(4-methylphenyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}propanamide
Catalog ID
STK511563
SMILES CCC(=O)Nc1ccc(cc1)N1C(=NN(C1c1cc(Cl)ccc1OCc1ccccc1F)c1ccc(cc1)C)C(=O)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 C33H30ClFN4O3 MW 585.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClFN4O3/c1-4-31(41)36-25-12-16-26(17-13-25)38-32(22(3)40)37-39(27-14-9-21(2)10-15-27)33(38)28-19-24(34)11-18-30(28)42-20-23-7-5-6-8-29(23)35/h5-19,33H,4,20H2,1-3H3,(H,36,41)InChIKey
XHAIGZALRNKNIB-UHFFFAOYSA-NSynonyms
CCC(=O)NC1=CC=C(C=C1)N2C(N(N=C2C(=O)C)C3=CC=C(C=C3)C)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5F
InChI=1SC33H30ClFN4O3c1431(41)3625121626(171325)3832(22(3)40)3739(2714921(2)101527)33(38)281924(34)111830(28)422023756829(23)35h51933H420H213H3(H3641)
MFCD03863960
N(4(3acetyl5(5chloro2((2fluorobenzyl)oxy)phenyl)1(4methylphenyl)15dihydro4H124triazol4yl)phenyl)propanamide
N(4(5ACETYL3(5CHLORO2((2FLUOROPHENYL)METHOXY)PHENYL)2(4METHYLPHENYL)3H124TRIAZOL4YL)PHENYL)PROPANAMIDE
ZINC000002177895
ZINC000002177896
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