Vitas-M small molecule compound
N-benzyl-7-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK189876
SMILES CCOc1cc(ccc1OCc1ccc(cc1)F)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 C29H28FN5O3 MW 513.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28FN5O3/c1-3-37-25-15-22(11-14-24(25)38-17-21-9-12-23(30)13-10-21)27-26(19(2)34-29-32-18-33-35(27)29)28(36)31-16-20-7-5-4-6-8-20/h4-15,18,27H,3,16-17H2,1-2H3,(H,31,36)(H,32,33,34)InChIKey
CCMRGFMLSYUAHI-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)NCC4=CC=CC=C4)OCC5=CC=C(C=C5)F
InChI=1SC29H28FN5O3c1337251522(111424(25)38172191223(30)131021)2726(19(2)342932183335(27)29)28(36)3116207546820h4151827H31617H212H3(H3136)(H323334)
MFCD06136173
NBENZYL7(3ETHOXY4((4FLUOROBENZYL)OXY)PHENYL)5METHYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXAMIDE
Nbenzyl7(3ethoxy4((4fluorophenyl)methoxy)phenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
ZINC000009908202
ZINC000009908203
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