Vitas-M small molecule compound
N-1,3-benzodioxol-5-yl-N~2~-(1H-benzotriazol-1-ylacetyl)-N~2~-(4-fluorobenzyl)valinamide
Catalog ID
STL446756
SMILES Fc1ccc(cc1)CN(C(C(=O)Nc1ccc2c(c1)OCO2)C(C)C)C(=O)Cn1nnc2c1cccc2
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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 C27H26FN5O4 MW 503.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN5O4/c1-17(2)26(27(35)29-20-11-12-23-24(13-20)37-16-36-23)32(14-18-7-9-19(28)10-8-18)25(34)15-33-22-6-4-3-5-21(22)30-31-33/h3-13,17,26H,14-16H2,1-2H3,(H,29,35)InChIKey
GKJGMIWLJLFMHN-UHFFFAOYSA-NSynonyms
2(2(1HBENZO(D)(123)TRIAZOL1YL)N(4FLUOROBENZYL)ACETAMIDO)N(BENZO(D)(13)DIOXOL5YL)3METHYLBUTANAMIDE
CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)N(CC3=CC=C(C=C3)F)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC27H26FN5O4c117(2)26(27(35)292011122324(1320)37163623)32(14187919(28)10818)25(34)153322643521(22)303133h3131726H1416H212H3(H2935)
MFCD06244373
N(13BENZODIOXOL5YL)2((2(BENZOTRIAZOL1YL)ACETYL)((4FLUOROPHENYL)METHYL)AMINO)3METHYLBUTANAMIDE
N13benzodioxol5ylN~2~(1Hbenzotriazol1ylacetyl)N~2~(4fluorobenzyl)valinamide
N13BENZODIOXOL5YLN2(1HBENZOTRIAZOL1YLACETYL)N2(4FLUOROBENZYL)VALINAMIDE
ZINC000001418917
ZINC000001418918
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