Vitas-M small molecule compound
1-{3,5-bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-(2,4-dichlorophenoxy)ethanone
Catalog ID
STK179000
SMILES CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)COc1ccc(cc1Cl)Cl)NCc1ccc(cc1)OCC
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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 C28H29Cl2N5O4 MW 570.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29Cl2N5O4/c1-3-37-22-10-5-19(6-11-22)16-31-27-33-28(32-17-20-7-12-23(13-8-20)38-4-2)35(34-27)26(36)18-39-25-14-9-21(29)15-24(25)30/h5-15H,3-4,16-18H2,1-2H3,(H2,31,32,33,34)InChIKey
JRMCUJLGBNOCCB-UHFFFAOYSA-NSynonyms
1(35BIS((4ETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)2(24DICHLOROPHENOXY)ETHANONE
1(35bis((4ethoxyphenyl)methylamino)124triazol1yl)2(24dichlorophenoxy)ethanone
CCOC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OCC)C(=O)COC4=C(C=C(C=C4)Cl)Cl
InChI=1SC28H29Cl2N5O4c13372210519(61122)1631273328(32172071223(13820)3842)35(3427)26(36)18392514921(29)1524(25)30h515H341618H212H3(H231323334)
MFCD06664062
ZINC000097995292
ZINC97995292
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