Vitas-M small molecule compound

3-benzyl-4-oxo-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile

Catalog ID
STL297579
SMILES N#Cc1c2ncn(c(=O)c2n2c1CCCCC2)Cc1ccccc1

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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 C19H18N4O MW 318.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O/c20-11-15-16-9-5-2-6-10-23(16)18-17(15)21-13-22(19(18)24)12-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-10,12H2
InChIKey
WMIINPDAMHGSMR-UHFFFAOYSA-N
Synonyms
132994-12-8
132994128
3benzyl4oxo4678910hexahydro3Hpyrimido(4545)pyrrolo(12a)azepine11carbonitrile
3benzyl4oxo78910tetrahydro6Hpyrimido(34)pyrrolo(35a)azepine11carbonitrile
C1CCC2=C(C3=C(N2CC1)C(=O)N(C=N3)CC4=CC=CC=C4)C#N
InChI=1SC19H18N4Oc2011151695261023(16)1817(15)211322(19(18)24)12147314814h1347813H25691012H2
MFCD00811801
ZINC000000208547
ZINC00208547
ZINC208547

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Available files

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