Vitas-M small molecule compound

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

Catalog ID
STL446749
SMILES O=C(N(C(C(=O)Nc1ccc2c(c1)OCO2)C(C)C)Cc1ccccc1C)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 C28H29N5O4 MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4/c1-18(2)27(28(35)29-21-12-13-24-25(14-21)37-17-36-24)32(15-20-9-5-4-8-19(20)3)26(34)16-33-23-11-7-6-10-22(23)30-31-33/h4-14,18,27H,15-17H2,1-3H3,(H,29,35)
InChIKey
KYYSNCVYRZDGFC-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1CN(C(C(C)C)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC28H29N5O4c118(2)27(28(35)292112132425(1421)37173624)32(1520954819(20)3)26(34)16332311761022(23)303133h4141827H1517H213H3(H2935)
MFCD06244366
N(13BENZODIOXOL5YL)2((2(1H123BENZOTRIAZOL1YL)ACETYL)(2METHYLBENZYL)AMINO)3METHYLBUTANAMIDE
N(13BENZODIOXOL5YL)2((2(BENZOTRIAZOL1YL)ACETYL)((2METHYLPHENYL)METHYL)AMINO)3METHYLBUTANAMIDE
N13benzodioxol5ylN~2~(1Hbenzotriazol1ylacetyl)N~2~(2methylbenzyl)valinamide
N13BENZODIOXOL5YLN2(1HBENZOTRIAZOL1YLACETYL)N2(2METHYLBENZYL)VALINAMIDE
ZINC000001418907
ZINC000001418908

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Available files

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