Vitas-M small molecule compound
N~2~-(1H-benzotriazol-1-ylacetyl)-N~2~-(4-fluorobenzyl)-N-(4-methoxyphenyl)valinamide
Catalog ID
STL446798
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)Cn1nnc2c1cccc2)Cc1ccc(cc1)F)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 C27H28FN5O3 MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FN5O3/c1-18(2)26(27(35)29-21-12-14-22(36-3)15-13-21)32(16-19-8-10-20(28)11-9-19)25(34)17-33-24-7-5-4-6-23(24)30-31-33/h4-15,18,26H,16-17H2,1-3H3,(H,29,35)InChIKey
LPBPOLYSIIHQNW-UHFFFAOYSA-NSynonyms
2((2(1H123BENZOTRIAZOL1YL)ACETYL)(4FLUOROBENZYL)AMINO)N(4METHOXYPHENYL)3METHYLBUTANAMIDE
2((2(BENZOTRIAZOL1YL)ACETYL)((4FLUOROPHENYL)METHYL)AMINO)N(4METHOXYPHENYL)3METHYLBUTANAMIDE
CC(C)C(C(=O)NC1=CC=C(C=C1)OC)N(CC2=CC=C(C=C2)F)C(=O)CN3C4=CC=CC=C4N=N3
InChI=1SC27H28FN5O3c118(2)26(27(35)2921121422(363)151321)32(161981020(28)11919)25(34)173324754623(24)303133h4151826H1617H213H3(H2935)
MFCD06244404
N~2~(1Hbenzotriazol1ylacetyl)N~2~(4fluorobenzyl)N(4methoxyphenyl)valinamide
N2(1HBENZOTRIAZOL1YLACETYL)N2(4FLUOROBENZYL)N(4METHOXYPHENYL)VALINAMIDE
ZINC000001418965
ZINC000001418966
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