Vitas-M small molecule compound
1-{3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-phenoxyethanone
Catalog ID
STK169936
SMILES COc1cc(CNc2nn(c(n2)NCc2ccc(c(c2)OC)OC)C(=O)COc2ccccc2)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 C28H31N5O6 MW 533.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O6/c1-35-22-12-10-19(14-24(22)37-3)16-29-27-31-28(30-17-20-11-13-23(36-2)25(15-20)38-4)33(32-27)26(34)18-39-21-8-6-5-7-9-21/h5-15H,16-18H2,1-4H3,(H2,29,30,31,32)InChIKey
GEJJMGWQKZAQLU-UHFFFAOYSA-NSynonyms
1(35BIS((34DIMETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)2PHENOXYETHANONE
1(35bis((34dimethoxyphenyl)methylamino)124triazol1yl)2phenoxyethanone
COC1=C(C=C(C=C1)CNC2=NN(C(=N2)NCC3=CC(=C(C=C3)OC)OC)C(=O)COC4=CC=CC=C4)OC
InChI=1SC28H31N5O6c13522121019(1424(22)373)1629273128(301720111323(362)25(1520)384)33(3227)26(34)1839218657921h515H1618H214H3(H229303132)
MFCD06663448
ZINC000097995295
ZINC97995295
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