Vitas-M small molecule compound
1-{3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-phenylpropan-1-one
Catalog ID
STK179016
SMILES COc1cc(CNc2nn(c(n2)NCc2ccc(c(c2)OC)OC)C(=O)CCc2ccccc2)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 C29H33N5O5 MW 531.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N5O5/c1-36-23-13-10-21(16-25(23)38-3)18-30-28-32-29(31-19-22-11-14-24(37-2)26(17-22)39-4)34(33-28)27(35)15-12-20-8-6-5-7-9-20/h5-11,13-14,16-17H,12,15,18-19H2,1-4H3,(H2,30,31,32,33)InChIKey
XFTLNMULMXQIRM-UHFFFAOYSA-NSynonyms
1(35BIS((34DIMETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3PHENYLPROPAN1ONE
1(35bis((34dimethoxyphenyl)methylamino)124triazol1yl)3phenylpropan1one
COC1=C(C=C(C=C1)CNC2=NN(C(=N2)NCC3=CC(=C(C=C3)OC)OC)C(=O)CCC4=CC=CC=C4)OC
InChI=1SC29H33N5O5c13623131021(1625(23)383)1830283229(311922111424(372)26(1722)394)34(3328)27(35)1512208657920h51113141617H12151819H214H3(H230313233)
MFCD06664074
ZINC000009948674
ZINC09948674
ZINC9948674
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