Vitas-M small molecule compound

2-[7-(4-chlorophenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK587745
SMILES Clc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)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 C25H20ClN5O2 MW 457.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN5O2/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/h1-7,10-14,18-19,21H,8-9H2,(H,27,28,29)
InChIKey
OEWMXYGELZCKAY-UHFFFAOYSA-N
Synonyms
1024579-43-8
1024579438
2(7(4CHLOROPHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)3A477ATETRAHYDROISOINDOLE13DIONE
2(7(4chlorophenyl)5phenyl37dihydro(124)triazolo(15a)pyrimidin2yl)3a477atetrahydro1Hisoindole13(2H)dione
C1C=CCC2C1C(=O)N(C2=O)C3=NC4=NC(=CC(N4N3)C5=CC=C(C=C5)Cl)C6=CC=CC=C6
Clc1ccc(cc1)C1C=C(N=c2n1nc((nH)2)N1C(=O)C2C(C1=O)CC=CC2)c1ccccc1
InChI=1SC25H20ClN5O2c2617121016(111317)211420(156213715)27242825(2931(21)24)3022(32)18845919(18)23(30)33h171014181921H89H2(H272829)
MFCD07207045
ZINC000100909479
ZINC000239377948

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Available files

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