Vitas-M small molecule compound
2-[7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STL232907
SMILES COc1ccc(cc1)C1CC(Nc2n1nc(n2)N1C(=O)C2C(C1=O)CC=CC2)c1ccccc1
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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 C26H25N5O3 MW 455.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O3/c1-34-18-13-11-17(12-14-18)22-15-21(16-7-3-2-4-8-16)27-25-28-26(29-31(22)25)30-23(32)19-9-5-6-10-20(19)24(30)33/h2-8,11-14,19-22H,9-10,15H2,1H3,(H,27,28,29)InChIKey
SQDFRXAXAVGUDF-UHFFFAOYSA-NSynonyms
1024531-97-21024531972
2(7(4methoxyphenyl)5phenyl1567tetrahydro(124)triazolo(15a)pyrimidin2yl)3a477atetrahydroisoindole13dione
2(7(4methoxyphenyl)5phenyl4567tetrahydro(124)triazolo(15a)pyrimidin2yl)3a477atetrahydro1Hisoindole13(2H)dione
COC1=CC=C(C=C1)C2CC(N=C3N2NC(=N3)N4C(=O)C5CC=CCC5C4=O)C6=CC=CC=C6
InChI=1SC26H25N5O3c13418131117(121418)221521(167324816)27252826(2931(22)25)3023(32)199561020(19)24(30)33h2811141922H91015H21H3(H272829)
MFCD04169979
ZINC000008969729
ZINC000248256241
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