Vitas-M small molecule compound

N-1,3-benzodioxol-5-yl-N~2~-(1H-benzotriazol-1-ylacetyl)-2-methyl-N~2~-(pyridin-3-ylmethyl)alaninamide

Catalog ID
STL446938
SMILES O=C(N(C(C(=O)Nc1ccc2c(c1)OCO2)(C)C)Cc1cccnc1)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 C25H24N6O4 MW 472.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N6O4/c1-25(2,24(33)27-18-9-10-21-22(12-18)35-16-34-21)30(14-17-6-5-11-26-13-17)23(32)15-31-20-8-4-3-7-19(20)28-29-31/h3-13H,14-16H2,1-2H3,(H,27,33)
InChIKey
VLUQOHAQHWZZFD-UHFFFAOYSA-N
Synonyms

CC(C)(C(=O)NC1=CC2=C(C=C1)OCO2)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC25H24N6O4c125(224(33)27189102122(1218)35163421)30(14176511261317)23(32)153120843719(20)282931h313H1416H212H3(H2733)
MFCD07773341
N(13BENZODIOXOL5YL)2((2(1H123BENZOTRIAZOL1YL)ACETYL)(3PYRIDINYLMETHYL)AMINO)2METHYLPROPANAMIDE
N(13BENZODIOXOL5YL)2((2(BENZOTRIAZOL1YL)ACETYL)(PYRIDIN3YLMETHYL)AMINO)2METHYLPROPANAMIDE
N13benzodioxol5ylN~2~(1Hbenzotriazol1ylacetyl)2methylN~2~(pyridin3ylmethyl)alaninamide
N13BENZODIOXOL5YLN2(1HBENZOTRIAZOL1YLACETYL)2METHYLN2(PYRIDIN3YLMETHYL)ALANINAMIDE
ZINC000001405436
ZINC1405436

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Available files

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