Vitas-M small molecule compound

6'-amino-5-fluoro-3'-{[(4-methylphenyl)sulfanyl]methyl}-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

Catalog ID
STL054794
SMILES N#CC1=C(N)Oc2c(C31C(=O)Nc1c3cc(F)cc1)c(CSc1ccc(cc1)C)[nH]n2

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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 C22H16FN5O2S MW 433.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN5O2S/c1-11-2-5-13(6-3-11)31-10-17-18-20(28-27-17)30-19(25)15(9-24)22(18)14-8-12(23)4-7-16(14)26-21(22)29/h2-8H,10,25H2,1H3,(H,26,29)(H,27,28)
InChIKey
SGKIFASJCHOKIG-UHFFFAOYSA-N
Synonyms
674807-58-0
674807580
6AMINO14FLUORO3((4METHYLPHENYLTHIO)METHYL)11OXOSPIRO(4HPYRANO(32D)PYRAZOLE43INDOLINE)5CARBONITRILE
6amino5fluoro2oxo3((ptolylthio)methyl)1Hspiro(indoline34pyrano(23c)pyrazole)5carbonitrile
6amino5fluoro3(((4methylphenyl)sulfanyl)methyl)2oxo12dihydro2Hspiro(indole34pyrano(23c)pyrazole)5carbonitrile
6AMINO5FLUORO3((4METHYLPHENYL)SULFANYLMETHYL)2OXOSPIRO(1HINDOLE342HPYRANO(23C)PYRAZOLE)5CARBONITRILE
CC1=CC=C(C=C1)SCC2=C3C(=NN2)OC(=C(C34C5=C(C=CC(=C5)F)NC4=O)C#N)N
InChI=1SC22H16FN5O2Sc1112513(6311)3110171820(282717)3019(25)15(924)22(18)14812(23)4716(14)2621(22)29h28H1025H21H3(H2629)(H2728)
MFCD05737432
N#CC1=C(N)Oc2c(C31C(=O)Nc1c3cc(F)cc1)c(CSc1ccc(cc1)C)(nH)n2
N#CC1=C(N)Oc2c(C31C(=O)Nc1c3cc(F)cc1)c(CSc1ccc(cc1)C)n(nH)2
ZINC000008442117
ZINC000008442118

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Available files

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