Vitas-M small molecule compound
3-(2-chlorobenzyl)-4-oxo-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile
Catalog ID
STL322376
SMILES N#Cc1c2ncn(c(=O)c2n2c1CCCCC2)Cc1ccccc1Cl
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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 C19H17ClN4O MW 352.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN4O/c20-15-7-4-3-6-13(15)11-23-12-22-17-14(10-21)16-8-2-1-5-9-24(16)18(17)19(23)25/h3-4,6-7,12H,1-2,5,8-9,11H2InChIKey
BLKOYZFXPHZLKO-UHFFFAOYSA-NSynonyms
305865-14-93((2chlorophenyl)methyl)4oxo78910tetrahydro6Hpyrimido(34)pyrrolo(35a)azepine11carbonitrile
3(2chlorobenzyl)4oxo4678910hexahydro3Hpyrimido(4545)pyrrolo(12a)azepine11carbonitrile
305865149
C1CCC2=C(C3=C(N2CC1)C(=O)N(C=N3)CC4=CC=CC=C4Cl)C#N
InChI=1SC19H17ClN4Oc2015743613(15)112312221714(1021)168215924(16)18(17)19(23)25h346712H1258911H2
MFCD01553852
ZINC000002256982
ZINC02256982
ZINC2256982
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