Vitas-M small molecule compound
2'-amino-1-methyl-1'-{5-[(3-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK684903
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C)C2=C(C31C(=O)N(c1c3cccc1)C)C(=O)CCC2
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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 C28H24N6O2S2 MW 540.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N6O2S2/c1-16-7-5-8-17(13-16)15-37-27-32-31-26(38-27)34-21-11-6-12-22(35)23(21)28(19(14-29)24(34)30)18-9-3-4-10-20(18)33(2)25(28)36/h3-5,7-10,13H,6,11-12,15,30H2,1-2H3InChIKey
JLTDPWRGOQWBTG-UHFFFAOYSA-NSynonyms
2amino1methyl1(5((3methylbenzyl)sulfanyl)134thiadiazol2yl)25dioxo125678hexahydro1Hspiro(indole34quinoline)3carbonitrile2AMINO1METHYL1(5((3METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)25DIOXOSPIRO(78DIHYDRO6HQUINOLINE43INDOLE)3CARBONITRILE
CC1=CC(=CC=C1)CSC2=NN=C(S2)N3C4=C(C(=O)CCC4)C5(C6=CC=CC=C6N(C5=O)C)C(=C3N)C#N
Registry IDs
MFCD05856525ZINC000098007189
ZINC000098007190
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