Vitas-M small molecule compound

6'-amino-1-methyl-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
STL042011
SMILES N#CC1=C(N)Oc2c(C31c1ccccc1N(C3=O)C)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 C23H19N5O2S MW 429.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N5O2S/c1-13-7-9-14(10-8-13)31-12-17-19-21(27-26-17)30-20(25)16(11-24)23(19)15-5-3-4-6-18(15)28(2)22(23)29/h3-10H,12,25H2,1-2H3,(H,26,27)
InChIKey
DVDLGUYQPTUTJI-UHFFFAOYSA-N
Synonyms
674807-50-2
674807502
6amino1methyl2oxo3((ptolylthio)methyl)1Hspiro(indoline34pyrano(23c)pyrazole)5carbonitrile
6amino1methyl3(((4methylphenyl)sulfanyl)methyl)2oxo12dihydro2Hspiro(indole34pyrano(23c)pyrazole)5carbonitrile
6AMINO1METHYL3((4METHYLPHENYL)SULFANYLMETHYL)2OXOSPIRO(2HPYRANO(23C)PYRAZOLE43INDOLE)5CARBONITRILE
CC1=CC=C(C=C1)SCC2=C3C(=NN2)OC(=C(C34C5=CC=CC=C5N(C4=O)C)C#N)N
InChI=1SC23H19N5O2Sc1137914(10813)3112171921(272617)3020(25)16(1124)23(19)15534618(15)28(2)22(23)29h310H1225H212H3(H2627)
MFCD05734186
N#CC1=C(N)Oc2c(C31c1ccccc1N(C3=O)C)c(CSc1ccc(cc1)C)(nH)n2
N#CC1=C(N)Oc2c(C31c1ccccc1N(C3=O)C)c(CSc1ccc(cc1)C)n(nH)2
ZINC000006498952
ZINC000006498953

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Available files

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