Vitas-M small molecule compound
7'-amino-1-(2-fluorobenzyl)-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
STK686192
SMILES N#CC1=C(N)Nc2c(C31C(=O)N(c1c3cccc1)Cc1ccccc1F)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 C29H20F2N6O2S MW 554.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20F2N6O2S/c30-18-8-5-6-16(12-18)15-40-28-35-25-23(26(38)36-28)29(20(13-32)24(33)34-25)19-9-2-4-11-22(19)37(27(29)39)14-17-7-1-3-10-21(17)31/h1-12H,14-15,33H2,(H2,34,35,36,38)InChIKey
GYNXVFSFSDKQJQ-UHFFFAOYSA-NSynonyms
7AMINO1((2FLUOROPHENYL)METHYL)2((3FLUOROPHENYL)METHYLSULFANYL)24DIOXOSPIRO(18DIHYDROPYRIDO(23D)PYRIMIDINE53INDOLE)6CARBONITRILE
7amino1(2fluorobenzyl)2((3fluorobenzyl)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=C6)F)N)C#N)F
InChI=1SC29H20F2N6O2Sc301885616(1218)154028352523(26(38)3628)29(20(1332)24(33)3425)199241122(19)37(27(29)39)14177131021(17)31h112H141533H2(H234353638)
MFCD06015056
N#CC1=C(N)Nc2c(C31C(=O)N(c1c3cccc1)Cc1ccccc1F)c(=O)(nH)c(n2)SCc1cccc(c1)F
ZINC000100192590
ZINC000100192593
Check stock
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Check stock on Vitas-MAvailable files
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