Vitas-M small molecule compound
N-{1-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}-2-(1H-benzotriazol-1-yl)-N-(4-methoxybenzyl)acetamide
Catalog ID
STL438986
SMILES COc1ccc(cc1)CN(C(c1ccc2c(c1)OCO2)C(=O)Nc1ccc(cc1)OC)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 C32H29N5O6 MW 579.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O6/c1-40-24-12-7-21(8-13-24)18-36(30(38)19-37-27-6-4-3-5-26(27)34-35-37)31(22-9-16-28-29(17-22)43-20-42-28)32(39)33-23-10-14-25(41-2)15-11-23/h3-17,31H,18-20H2,1-2H3,(H,33,39)InChIKey
OHCCSMPICGBQFZ-UHFFFAOYSA-NSynonyms
2(13BENZODIOXOL5YL)2((2(BENZOTRIAZOL1YL)ACETYL)((4METHOXYPHENYL)METHYL)AMINO)N(4METHOXYPHENYL)ACETAMIDE
COC1=CC=C(C=C1)CN(C(C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)OC)C(=O)CN5C6=CC=CC=C6N=N5
InChI=1SC32H29N5O6c1402412721(81324)1836(30(38)193727643526(27)343537)31(229162829(1722)43204228)32(39)3323101425(412)151123h31731H1820H212H3(H3339)
MFCD09956466
N(1(13benzodioxol5yl)2((4methoxyphenyl)amino)2oxoethyl)2(1Hbenzotriazol1yl)N(4methoxybenzyl)acetamide
ZINC000001419116
ZINC000001419117
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