Vitas-M small molecule compound
6'-amino-3'-{[(4-methylphenyl)sulfanyl]methyl}-5-nitro-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Catalog ID
STL055478
SMILES N#CC1=C(N)Oc2c(C31C(=O)Nc1c3cc(cc1)[N+](=O)[O-])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 C22H16N6O4S MW 460.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N6O4S/c1-11-2-5-13(6-3-11)33-10-17-18-20(27-26-17)32-19(24)15(9-23)22(18)14-8-12(28(30)31)4-7-16(14)25-21(22)29/h2-8H,10,24H2,1H3,(H,25,29)(H,26,27)InChIKey
BXAXGSWYVQILJK-UHFFFAOYSA-NSynonyms
674807-41-1674807411
6amino3(((4methylphenyl)sulfanyl)methyl)5nitro2oxo12dihydro2Hspiro(indole34pyrano(23c)pyrazole)5carbonitrile
6AMINO3((4METHYLPHENYL)SULFANYLMETHYL)5NITRO2OXOSPIRO(1HINDOLE342HPYRANO(23C)PYRAZOLE)5CARBONITRILE
6amino5nitro2oxo3((ptolylthio)methyl)1Hspiro(indoline34pyrano(23c)pyrazole)5carbonitrile
CC1=CC=C(C=C1)SCC2=C3C(=NN2)OC(=C(C34C5=C(C=CC(=C5)(N+)(=O)(O))NC4=O)C#N)N
InChI=1SC22H16N6O4Sc1112513(6311)3310171820(272617)3219(24)15(923)22(18)14812(28(30)31)4716(14)2521(22)29h28H1024H21H3(H2529)(H2627)
MFCD05735782
N#CC1=C(N)Oc2c(C31C(=O)Nc1c3cc(cc1)(N+)(=O)(O))c(CSc1ccc(cc1)C)(nH)n2
N#CC1=C(N)Oc2c(C31C(=O)Nc1c3cc(cc1)(N+)(=O)(O))c(n(nH)2)CSc1ccc(cc1)C
ZINC000009460834
ZINC000009460835
Check stock
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Check stock on Vitas-MAvailable files
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