Vitas-M small molecule compound

7'-amino-2'-[(3-fluorobenzyl)sulfanyl]-2,4'-dioxo-1-(prop-2-yn-1-yl)-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile

Catalog ID
STK781548
SMILES C#CCN1c2ccccc2C2(C1=O)C(=C(N)Nc1c2c(=O)[nH]c(n1)SCc1cccc(c1)F)C#N

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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 C25H17FN6O2S MW 484.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17FN6O2S/c1-2-10-32-18-9-4-3-8-16(18)25(23(32)34)17(12-27)20(28)29-21-19(25)22(33)31-24(30-21)35-13-14-6-5-7-15(26)11-14/h1,3-9,11H,10,13,28H2,(H2,29,30,31,33)
InChIKey
KLKAQLZKSLFNRX-UHFFFAOYSA-N
Synonyms

7amino2((3fluorobenzyl)sulfanyl)24dioxo1(prop2yn1yl)1248tetrahydro3Hspiro(indole35pyrido(23d)pyrimidine)6carbonitrile
7AMINO2((3FLUOROPHENYL)METHYLSULFANYL)24DIOXO1PROP2YNYLSPIRO(18DIHYDROPYRIDO(23D)PYRIMIDINE53INDOLE)6CARBONITRILE
7AMINO2((3FLUOROPHENYL)METHYLTHIO)412DIOXO11PROP2YNYLSPIRO(358TRIHYDROPYRIDINO(23D)PYRIMIDINE53INDOLINE)6CARBONITRILE
C#CCN1C2=CC=CC=C2C3(C1=O)C(=C(NC4=C3C(=O)N=C(N4)SCC5=CC(=CC=C5)F)N)C#N
C#CCN1c2ccccc2C2(C1=O)C(=C(N)Nc1c2c(=O)(nH)c(n1)SCc1cccc(c1)F)C#N
InChI=1SC25H17FN6O2Sc12103218943816(18)25(23(32)34)17(1227)20(28)292119(25)22(33)3124(3021)35131465715(26)1114h13911H101328H2(H229303133)
MFCD06015272
ZINC000012361973
ZINC000012361975

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.