Vitas-M small molecule compound
N-benzyl-7-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK199566
SMILES CCOc1cc(ccc1OCc1cccc(c1)C)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 C30H31N5O3 MW 509.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N5O3/c1-4-37-26-16-24(13-14-25(26)38-18-23-12-8-9-20(2)15-23)28-27(21(3)34-30-32-19-33-35(28)30)29(36)31-17-22-10-6-5-7-11-22/h5-16,19,28H,4,17-18H2,1-3H3,(H,31,36)(H,32,33,34)InChIKey
CTBGWMUGNANUMO-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)NCC4=CC=CC=C4)OCC5=CC=CC(=C5)C
InChI=1SC30H31N5O3c1437261624(131425(26)381823128920(2)1523)2827(21(3)343032193335(28)30)29(36)311722106571122h5161928H41718H213H3(H3136)(H323334)
MFCD06136162
NBENZYL7(3ETHOXY4((3METHYLBENZYL)OXY)PHENYL)5METHYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXAMIDE
Nbenzyl7(3ethoxy4((3methylphenyl)methoxy)phenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
ZINC000009934726
ZINC000009934727
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