Vitas-M small molecule compound

2-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]hexahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STL053839
SMILES O=C1CC(c2ccc(cc2)Cl)n2c(=N1)[nH]c(n2)N1C(=O)C2C(C1=O)CCCC2

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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 C19H18ClN5O3 MW 399.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN5O3/c20-11-7-5-10(6-8-11)14-9-15(26)21-18-22-19(23-25(14)18)24-16(27)12-3-1-2-4-13(12)17(24)28/h5-8,12-14H,1-4,9H2,(H,21,22,23,26)
InChIKey
OTBFORVHEIXCFR-UHFFFAOYSA-N
Synonyms
1008465-53-9
1008465539
2(7(4chlorophenyl)5oxo3567tetrahydro(124)triazolo(15a)pyrimidin2yl)hexahydro1Hisoindole13(2H)dione
2(7(4chlorophenyl)5oxo67dihydro1H(124)triazolo(15a)pyrimidin2yl)3a45677ahexahydroisoindole13dione
C1CCC2C(C1)C(=O)N(C2=O)C3=NC4=NC(=O)CC(N4N3)C5=CC=C(C=C5)Cl
InChI=1SC19H18ClN5O3c20117510(6811)14915(26)21182219(2325(14)18)2416(27)12312413(12)17(24)28h581214H149H2(H21222326)
MFCD05736314
ZINC000016955746
ZINC000227238390

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Available files

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