Vitas-M small molecule compound
(2E)-1-{3,5-bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(2-chlorophenyl)prop-2-en-1-one
Catalog ID
STK178988
SMILES CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)/C=C/c1ccccc1Cl)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 C29H30ClN5O3 MW 532.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClN5O3/c1-3-37-24-14-9-21(10-15-24)19-31-28-33-29(32-20-22-11-16-25(17-12-22)38-4-2)35(34-28)27(36)18-13-23-7-5-6-8-26(23)30/h5-18H,3-4,19-20H2,1-2H3,(H2,31,32,33,34)/b18-13+InChIKey
ZPZALYHHYPBPAD-QGOAFFKASA-NSynonyms
(2E)1(35BIS((4ETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3(2CHLOROPHENYL)PROP2EN1ONE
(E)1(35bis((4ethoxyphenyl)methylamino)124triazol1yl)3(2chlorophenyl)prop2en1one
CCOC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OCC)C(=O)C=CC4=CC=CC=C4Cl
CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)C=Cc1ccccc1Cl)NCc1ccc(cc1)OCC
InChI=1SC29H30ClN5O3c13372414921(101524)1931283329(322022111625(171222)3842)35(3428)27(36)181323756826(23)30h518H341920H212H3(H231323334)b1813+
MFCD06664050
ZINC000097960632
ZINC97960632
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