Vitas-M small molecule compound
2'-amino-1'-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-methyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK684717
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccccc2Cl)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 C27H21ClN6O2S2 MW 561.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN6O2S2/c1-14-9-10-19-16(11-14)27(24(36)31-19)17(12-29)23(30)34(20-7-4-8-21(35)22(20)27)25-32-33-26(38-25)37-13-15-5-2-3-6-18(15)28/h2-3,5-6,9-11H,4,7-8,13,30H2,1H3,(H,31,36)InChIKey
PDXVWNHWTZLHOT-UHFFFAOYSA-NSynonyms
2amino1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)5methyl25dioxo125678hexahydro1Hspiro(indole34quinoline)3carbonitrile2amino1(5((2chlorophenyl)methylsulfanyl)134thiadiazol2yl)5methyl25dioxospiro(1Hindole3478dihydro6Hquinoline)3carbonitrile
CC1=CC2=C(C=C1)NC(=O)C23C(=C(N(C4=C3C(=O)CCC4)C5=NN=C(S5)SCC6=CC=CC=C6Cl)N)C#N
Registry IDs
MFCD05855835ZINC000098007117
ZINC000098007118
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