Vitas-M small molecule compound

2'-amino-1'-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,7',7'-trimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

Catalog ID
STK684909
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccccc2Cl)C2=C(C31c1ccccc1N(C3=O)C)C(=O)CC(C2)(C)C

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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 C29H25ClN6O2S2 MW 589.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN6O2S2/c1-28(2)12-21-23(22(37)13-28)29(17-9-5-7-11-20(17)35(3)25(29)38)18(14-31)24(32)36(21)26-33-34-27(40-26)39-15-16-8-4-6-10-19(16)30/h4-11H,12-13,15,32H2,1-3H3
InChIKey
MNDJYCONTRLGMG-UHFFFAOYSA-N
Synonyms

2amino1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)177trimethyl25dioxo125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2AMINO1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)177TRIMETHYL25DIOXOSPIRO(68DIHYDROQUINOLINE43INDOLE)3CARBONITRILE
CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4N(C3=O)C)C(=C(N2C5=NN=C(S5)SCC6=CC=CC=C6Cl)N)C#N)C
InChI=1SC29H25ClN6O2S2c128(2)122123(22(37)1328)29(179571120(17)35(3)25(29)38)18(1431)24(32)36(21)26333427(4026)3915168461019(16)30h411H12131532H213H3
MFCD05856537
ZINC000098007197
ZINC000098007198

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Available files

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