Vitas-M small molecule compound
1-{3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-(4-chlorophenoxy)ethanone
Catalog ID
STK187634
SMILES COc1cc(CNc2nn(c(n2)NCc2ccc(c(c2)OC)OC)C(=O)COc2ccc(cc2)Cl)ccc1OC
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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 C28H30ClN5O6 MW 568.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN5O6/c1-36-22-11-5-18(13-24(22)38-3)15-30-27-32-28(31-16-19-6-12-23(37-2)25(14-19)39-4)34(33-27)26(35)17-40-21-9-7-20(29)8-10-21/h5-14H,15-17H2,1-4H3,(H2,30,31,32,33)InChIKey
HHOUPKYHOPTEFC-UHFFFAOYSA-NSynonyms
1(35BIS((34DIMETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)2(4CHLOROPHENOXY)ETHANONE
1(35bis((34dimethoxyphenyl)methylamino)124triazol1yl)2(4chlorophenoxy)ethanone
COC1=C(C=C(C=C1)CNC2=NN(C(=N2)NCC3=CC(=C(C=C3)OC)OC)C(=O)COC4=CC=C(C=C4)Cl)OC
InChI=1SC28H30ClN5O6c1362211518(1324(22)383)1530273228(31161961223(372)25(1419)394)34(3327)26(35)1740219720(29)81021h514H1517H214H3(H230313233)
MFCD06664608
ZINC000097995304
ZINC97995304
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