Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-[(1H-benzotriazol-1-ylacetyl)(2-methylbenzyl)amino]butanamide
Catalog ID
STL446951
SMILES CCC(N(C(=O)Cn1nnc2c1cccc2)Cc1ccccc1C)C(=O)Nc1ccc2c(c1)OCO2
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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 C27H27N5O4 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4/c1-3-22(27(34)28-20-12-13-24-25(14-20)36-17-35-24)31(15-19-9-5-4-8-18(19)2)26(33)16-32-23-11-7-6-10-21(23)29-30-32/h4-14,22H,3,15-17H2,1-2H3,(H,28,34)InChIKey
POPAJDHOFUBGED-UHFFFAOYSA-NSynonyms
CCC(C(=O)NC1=CC2=C(C=C1)OCO2)N(CC3=CC=CC=C3C)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC27H27N5O4c1322(27(34)282012132425(1420)36173524)31(1519954818(19)2)26(33)16322311761021(23)293032h41422H31517H212H3(H2834)
MFCD06244498
N(13benzodioxol5yl)2((1Hbenzotriazol1ylacetyl)(2methylbenzyl)amino)butanamide
N(13BENZODIOXOL5YL)2((2(1H123BENZOTRIAZOL1YL)ACETYL)(2METHYLBENZYL)AMINO)BUTANAMIDE
N(13BENZODIOXOL5YL)2((2(BENZOTRIAZOL1YL)ACETYL)((2METHYLPHENYL)METHYL)AMINO)BUTANAMIDE
ZINC000008713606
ZINC000016949408
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