Vitas-M small molecule compound
7'-amino-2'-(benzylsulfanyl)-1-(2-fluorobenzyl)-2,4'-dioxo-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile
Catalog ID
STK686153
SMILES N#CC1=C(N)Nc2c(C31c1ccccc1N(C3=O)Cc1ccccc1F)c(=O)[nH]c(n2)SCc1ccccc1
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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 C29H21FN6O2S MW 536.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21FN6O2S/c30-21-12-6-4-10-18(21)15-36-22-13-7-5-11-19(22)29(27(36)38)20(14-31)24(32)33-25-23(29)26(37)35-28(34-25)39-16-17-8-2-1-3-9-17/h1-13H,15-16,32H2,(H2,33,34,35,37)InChIKey
CBVAMMWNFMLEPV-UHFFFAOYSA-NSynonyms
7amino2(benzylsulfanyl)1(2fluorobenzyl)24dioxo1248tetrahydro3Hspiro(indole35pyrido(23d)pyrimidine)6carbonitrile
7AMINO2BENZYLSULFANYL1((2FLUOROPHENYL)METHYL)24DIOXOSPIRO(18DIHYDROPYRIDO(23D)PYRIMIDINE53INDOLE)6CARBONITRILE
C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)NC(=C(C34C5=CC=CC=C5N(C4=O)CC6=CC=CC=C6F)C#N)N
InChI=1SC29H21FN6O2Sc302112641018(21)15362213751119(22)29(27(36)38)20(1431)24(32)332523(29)26(37)3528(3425)3916178213917h113H151632H2(H233343537)
MFCD06014806
N#CC1=C(N)Nc2c(C31c1ccccc1N(C3=O)Cc1ccccc1F)c(=O)(nH)c(n2)SCc1ccccc1
ZINC000100191708
ZINC000100191711
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