Vitas-M small molecule compound
2'-amino-5-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
STK684904
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C)C2=C(C31C(=O)Nc1c3cc(C)cc1)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/c1-15-5-3-6-17(11-15)14-37-27-33-32-26(38-27)34-21-7-4-8-22(35)23(21)28(19(13-29)24(34)30)18-12-16(2)9-10-20(18)31-25(28)36/h3,5-6,9-12H,4,7-8,14,30H2,1-2H3,(H,31,36)InChIKey
VJAINZLXBGOLGM-UHFFFAOYSA-NSynonyms
2amino5methyl1(5((3methylbenzyl)sulfanyl)134thiadiazol2yl)25dioxo125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino5methyl1(5((3methylphenyl)methylsulfanyl)134thiadiazol2yl)25dioxospiro(1Hindole3478dihydro6Hquinoline)3carbonitrile
CC1=CC(=CC=C1)CSC2=NN=C(S2)N3C4=C(C(=O)CCC4)C5(C6=C(C=CC(=C6)C)NC5=O)C(=C3N)C#N
InChI=1SC28H24N6O2S2c11553617(1115)143727333226(3827)342174822(35)23(21)28(19(1329)24(34)30)181216(2)91020(18)3125(28)36h356912H4781430H212H3(H3136)
MFCD05856526
ZINC000098007191
ZINC000098007192
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