Vitas-M small molecule compound

N-1,3-benzodioxol-5-yl-N~2~-(1H-benzotriazol-1-ylacetyl)-N~2~-(2-methylbenzyl)isovalinamide

Catalog ID
STL439052
SMILES CCC(N(C(=O)Cn1nnc2c1cccc2)Cc1ccccc1C)(C(=O)Nc1ccc2c(c1)OCO2)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 C28H29N5O4 MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4/c1-4-28(3,27(35)29-21-13-14-24-25(15-21)37-18-36-24)32(16-20-10-6-5-9-19(20)2)26(34)17-33-23-12-8-7-11-22(23)30-31-33/h5-15H,4,16-18H2,1-3H3,(H,29,35)
InChIKey
GVZZNNBJPOCANO-UHFFFAOYSA-N
Synonyms

CCC(C)(C(=O)NC1=CC2=C(C=C1)OCO2)N(CC3=CC=CC=C3C)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC28H29N5O4c1428(327(35)292113142425(1521)37183624)32(16201065919(20)2)26(34)17332312871122(23)303133h515H41618H213H3(H2935)
MFCD07773365
N(13BENZODIOXOL5YL)2((2(1H123BENZOTRIAZOL1YL)ACETYL)(2METHYLBENZYL)AMINO)2METHYLBUTANAMIDE
N(13BENZODIOXOL5YL)2((2(BENZOTRIAZOL1YL)ACETYL)((2METHYLPHENYL)METHYL)AMINO)2METHYLBUTANAMIDE
N13benzodioxol5ylN~2~(1Hbenzotriazol1ylacetyl)N~2~(2methylbenzyl)isovalinamide
ZINC000001419159
ZINC000001419160

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Available files

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