Vitas-M small molecule compound
methyl 6-[(3-chloro-4-fluorophenyl)carbamoyl]-1,8-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate
Catalog ID
STK728965
SMILES COC(=O)C1=C2C(=O)NCCN2C(CC1=O)C(=O)Nc1ccc(c(c1)Cl)F
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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 C17H15ClFN3O5 MW 395.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClFN3O5/c1-27-17(26)13-12(23)7-11(22-5-4-20-16(25)14(13)22)15(24)21-8-2-3-10(19)9(18)6-8/h2-3,6,11H,4-5,7H2,1H3,(H,20,25)(H,21,24)InChIKey
USRAECRALQQWEK-UHFFFAOYSA-NSynonyms
1009727-91-61009727916
COC(=O)C1=C2C(=O)NCCN2C(CC1=O)C(=O)NC3=CC(=C(C=C3)F)Cl
InChI=1SC17H15ClFN3O5c12717(26)1312(23)711(22542016(25)14(13)22)15(24)2182310(19)9(18)68h23611H457H21H3(H2025)(H2124)
methyl6((3chloro4fluorophenyl)carbamoyl)18dioxo134678hexahydro2Hpyrido(12a)pyrazine9carboxylate
methyl6((3chloro4fluorophenyl)carbamoyl)18dioxo234678hexahydro1Hpyrido(12a)pyrazine9carboxylate
methyl6((3chloro4fluorophenyl)carbamoyl)18dioxo3467tetrahydro2Hpyrido(12a)pyrazine9carboxylate
MFCD06755382
ZINC000004784119
ZINC000004784120
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