Vitas-M small molecule compound
7'-amino-2'-[(3-fluorobenzyl)sulfanyl]-2,4'-dioxo-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile
Catalog ID
STK782437
SMILES N#CC1=C(N)Nc2c(C31C(=O)Nc1c3cccc1)c(=O)[nH]c(n2)SCc1cccc(c1)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 C22H15FN6O2S MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15FN6O2S/c23-12-5-3-4-11(8-12)10-32-21-28-18-16(19(30)29-21)22(14(9-24)17(25)27-18)13-6-1-2-7-15(13)26-20(22)31/h1-8H,10,25H2,(H,26,31)(H2,27,28,29,30)InChIKey
WPWYWQQKKAIFMR-UHFFFAOYSA-NSynonyms
7amino2((3fluorobenzyl)sulfanyl)24dioxo1248tetrahydro3Hspiro(indole35pyrido(23d)pyrimidine)6carbonitrile
7AMINO2((3FLUOROPHENYL)METHYLSULFANYL)24DIOXOSPIRO(18DIHYDROPYRIDO(23D)PYRIMIDINE531HINDOLE)6CARBONITRILE
C1=CC=C2C(=C1)C3(C(=C(NC4=C3C(=O)N=C(N4)SCC5=CC(=CC=C5)F)N)C#N)C(=O)N2
InChI=1SC22H15FN6O2Sc231253411(812)103221281816(19(30)2921)22(14(924)17(25)2718)13612715(13)2620(22)31h18H1025H2(H2631)(H227282930)
MFCD06017601
N#CC1=C(N)Nc2c(C31C(=O)Nc1c3cccc1)c(=O)(nH)c(n2)SCc1cccc(c1)F
ZINC000012377351
ZINC000012377352
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