Vitas-M small molecule compound
N-1,3-benzodioxol-5-yl-N~2~-(1H-benzotriazol-1-ylacetyl)-N~2~-benzylvalinamide
Catalog ID
STL446744
SMILES O=C(N(C(C(=O)Nc1ccc2c(c1)OCO2)C(C)C)Cc1ccccc1)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 C27H27N5O4 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4/c1-18(2)26(27(34)28-20-12-13-23-24(14-20)36-17-35-23)31(15-19-8-4-3-5-9-19)25(33)16-32-22-11-7-6-10-21(22)29-30-32/h3-14,18,26H,15-17H2,1-2H3,(H,28,34)InChIKey
VSPMFJFHYCUGOC-UHFFFAOYSA-NSynonyms
CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)N(CC3=CC=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC27H27N5O4c118(2)26(27(34)282012132324(1420)36173523)31(15198435919)25(33)16322211761021(22)293032h3141826H1517H212H3(H2834)
MFCD06244358
N(13BENZODIOXOL5YL)2((2(1H123BENZOTRIAZOL1YL)ACETYL)(BENZYL)AMINO)3METHYLBUTANAMIDE
N(13BENZODIOXOL5YL)2((2(BENZOTRIAZOL1YL)ACETYL)BENZYLAMINO)3METHYLBUTANAMIDE
N13benzodioxol5ylN~2~(1Hbenzotriazol1ylacetyl)N~2~benzylvalinamide
N13BENZODIOXOL5YLN2(1HBENZOTRIAZOL1YLACETYL)N2BENZYLVALINAMIDE
ZINC000016949384
ZINC000016949386
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