Vitas-M small molecule compound
(2E)-1-{3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(4-chlorophenyl)prop-2-en-1-one
Catalog ID
STK187630
SMILES COc1cc(CNc2nn(c(n2)NCc2ccc(c(c2)OC)OC)C(=O)/C=C/c2ccc(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 C29H30ClN5O5 MW 564.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClN5O5/c1-37-23-12-7-20(15-25(23)39-3)17-31-28-33-29(32-18-21-8-13-24(38-2)26(16-21)40-4)35(34-28)27(36)14-9-19-5-10-22(30)11-6-19/h5-16H,17-18H2,1-4H3,(H2,31,32,33,34)/b14-9+InChIKey
SAYAUZTXCFEBCQ-NTEUORMPSA-NSynonyms
(2E)1(35BIS((34DIMETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3(4CHLOROPHENYL)PROP2EN1ONE
(E)1(35bis((34dimethoxyphenyl)methylamino)124triazol1yl)3(4chlorophenyl)prop2en1one
COC1=C(C=C(C=C1)CNC2=NN(C(=N2)NCC3=CC(=C(C=C3)OC)OC)C(=O)C=CC4=CC=C(C=C4)Cl)OC
COc1cc(CNc2nn(c(n2)NCc2ccc(c(c2)OC)OC)C(=O)C=Cc2ccc(cc2)Cl)ccc1OC
InChI=1SC29H30ClN5O5c1372312720(1525(23)393)1731283329(32182181324(382)26(1621)404)35(3428)27(36)1491951022(30)11619h516H1718H214H3(H231323334)b149+
MFCD06664604
ZINC000097960818
ZINC97960818
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