Vitas-M small molecule compound
6'-amino-1-(4-chlorobenzyl)-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
STL048352
SMILES N#CC1=C(N)Oc2c(C31C(=O)N(c1c3cccc1)Cc1ccc(cc1)Cl)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 C29H22ClN5O2S MW 540.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN5O2S/c1-17-6-12-20(13-7-17)38-16-23-25-27(34-33-23)37-26(32)22(14-31)29(25)21-4-2-3-5-24(21)35(28(29)36)15-18-8-10-19(30)11-9-18/h2-13H,15-16,32H2,1H3,(H,33,34)InChIKey
ATXBXLLXUCZMPW-UHFFFAOYSA-NSynonyms
847047-19-26AMINO1((4CHLOROPHENYL)METHYL)3((4METHYLPHENYL)SULFANYLMETHYL)2OXOSPIRO(2HPYRANO(23C)PYRAZOLE43INDOLE)5CARBONITRILE
6amino1(4chlorobenzyl)2oxo3((ptolylthio)methyl)1Hspiro(indoline34pyrano(23c)pyrazole)5carbonitrile
6amino1(4chlorobenzyl)3(((4methylphenyl)sulfanyl)methyl)2oxo12dihydro2Hspiro(indole34pyrano(23c)pyrazole)5carbonitrile
847047192
CC1=CC=C(C=C1)SCC2=C3C(=NN2)OC(=C(C34C5=CC=CC=C5N(C4=O)CC6=CC=C(C=C6)Cl)C#N)N
InChI=1SC29H22ClN5O2Sc11761220(13717)3816232527(343323)3726(32)22(1431)29(25)21423524(21)35(28(29)36)151881019(30)11918h213H151632H21H3(H3334)
MFCD05734264
N#CC1=C(N)Oc2c(C31C(=O)N(c1c3cccc1)Cc1ccc(cc1)Cl)c(CSc1ccc(cc1)C)(nH)n2
N#CC1=C(N)Oc2c(C31C(=O)N(c1c3cccc1)Cc1ccc(cc1)Cl)c(CSc1ccc(cc1)C)n(nH)2
ZINC000001273520
ZINC000001273521
Check stock
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Check stock on Vitas-MAvailable files
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