Vitas-M small molecule compound
2-[7-(4-fluorophenyl)-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
STL157107
SMILES Fc1ccc(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 C25H22FN5O2 MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN5O2/c26-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)27-24-28-25(29-31(21)24)30-22(32)18-8-4-5-9-19(18)23(30)33/h1-7,10-13,18-21H,8-9,14H2,(H,27,28,29)InChIKey
URQSLNUTNNEUJC-UHFFFAOYSA-NSynonyms
1024579-33-61024579336
2(7(4fluorophenyl)5phenyl1567tetrahydro(124)triazolo(15a)pyrimidin2yl)3a477atetrahydroisoindole13dione
2(7(4fluorophenyl)5phenyl4567tetrahydro(124)triazolo(15a)pyrimidin2yl)3a477atetrahydro1Hisoindole13(2H)dione
C1C=CCC2C1C(=O)N(C2=O)C3=NC4=NC(CC(N4N3)C5=CC=C(C=C5)F)C6=CC=CC=C6
InChI=1SC25H22FN5O2c2617121016(111317)211420(156213715)27242825(2931(21)24)3022(32)18845919(18)23(30)33h1710131821H8914H2(H272829)
MFCD04168285
ZINC000002416263
ZINC000009281617
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