Vitas-M small molecule compound
N-benzyl-7-{4-[(2,6-dichlorobenzyl)oxy]-3-ethoxyphenyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK220512
SMILES CCOc1cc(ccc1OCc1c(Cl)cccc1Cl)C1C(=C(C)Nc2n1ncn2)C(=O)NCc1ccccc1
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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 C29H27Cl2N5O3 MW 564.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27Cl2N5O3/c1-3-38-25-14-20(12-13-24(25)39-16-21-22(30)10-7-11-23(21)31)27-26(18(2)35-29-33-17-34-36(27)29)28(37)32-15-19-8-5-4-6-9-19/h4-14,17,27H,3,15-16H2,1-2H3,(H,32,37)(H,33,34,35)InChIKey
GMVCFAJPGPTNJB-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)NCC4=CC=CC=C4)OCC5=C(C=CC=C5Cl)Cl
InChI=1SC29H27Cl2N5O3c1338251420(121324(25)39162122(30)1071123(21)31)2726(18(2)352933173436(27)29)28(37)3215198546919h4141727H31516H212H3(H3237)(H333435)
MFCD06136184
NBENZYL7(4((26DICHLOROBENZYL)OXY)3ETHOXYPHENYL)5METHYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXAMIDE
Nbenzyl7(4((26dichlorophenyl)methoxy)3ethoxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
ZINC000098043491
ZINC000098043492
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