Vitas-M small molecule compound
7'-amino-1-(2-chlorobenzyl)-2'-[(2-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
STK686191
SMILES N#CC1=C(N)Nc2c(C31C(=O)N(c1c3cccc1)Cc1ccccc1Cl)c(=O)[nH]c(n2)SCc1ccccc1F
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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 C29H20ClFN6O2S MW 571.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20ClFN6O2S/c30-20-10-4-1-7-16(20)14-37-22-12-6-3-9-18(22)29(27(37)39)19(13-32)24(33)34-25-23(29)26(38)36-28(35-25)40-15-17-8-2-5-11-21(17)31/h1-12H,14-15,33H2,(H2,34,35,36,38)InChIKey
IIANHWCJHPLYGZ-UHFFFAOYSA-NSynonyms
7AMINO1((2CHLOROPHENYL)METHYL)2((2FLUOROPHENYL)METHYLSULFANYL)24DIOXOSPIRO(18DIHYDROPYRIDO(23D)PYRIMIDINE53INDOLE)6CARBONITRILE
7amino1(2chlorobenzyl)2((2fluorobenzyl)sulfanyl)24dioxo1248tetrahydro3Hspiro(indole35pyrido(23d)pyrimidine)6carbonitrile
C1=CC=C(C(=C1)CN2C3=CC=CC=C3C4(C2=O)C(=C(NC5=C4C(=O)N=C(N5)SCC6=CC=CC=C6F)N)C#N)Cl
InChI=1SC29H20ClFN6O2Sc30201041716(20)1437221263918(22)29(27(37)39)19(1332)24(33)342523(29)26(38)3628(3525)4015178251121(17)31h112H141533H2(H234353638)
MFCD06015054
N#CC1=C(N)Nc2c(C31C(=O)N(c1c3cccc1)Cc1ccccc1Cl)c(=O)(nH)c(n2)SCc1ccccc1F
ZINC000100192583
ZINC000100192585
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