Vitas-M small molecule compound
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-2-(1H-benzotriazol-1-yl)-N-(4-methoxybenzyl)acetamide
Catalog ID
STL439065
SMILES COc1ccc(cc1)CN(C(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1)C(=O)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 C31H27N5O5 MW 549.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5O5/c1-39-24-14-11-21(12-15-24)18-35(29(37)19-36-26-10-6-5-9-25(26)33-34-36)30(22-7-3-2-4-8-22)31(38)32-23-13-16-27-28(17-23)41-20-40-27/h2-17,30H,18-20H2,1H3,(H,32,38)InChIKey
CEDHHTOJFASSLR-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)CN(C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)CN5C6=CC=CC=C6N=N5
InChI=1SC31H27N5O5c13924141121(121524)1835(29(37)1936261065925(26)333436)30(227324822)31(38)322313162728(1723)41204027h21730H1820H21H3(H3238)
MFCD09956927
N(13BENZODIOXOL5YL)2((2(BENZOTRIAZOL1YL)ACETYL)((4METHOXYPHENYL)METHYL)AMINO)2PHENYLACETAMIDE
N(2(13benzodioxol5ylamino)2oxo1phenylethyl)2(1Hbenzotriazol1yl)N(4methoxybenzyl)acetamide
ZINC000001419167
ZINC000001419168
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