Vitas-M small molecule compound
2'-amino-1'-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-fluoro-7',7'-dimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK685050
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccccc2Cl)C2=C(C31C(=O)Nc1c3cc(F)cc1)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 C28H22ClFN6O2S2 MW 593.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClFN6O2S2/c1-27(2)10-20-22(21(37)11-27)28(16-9-15(30)7-8-19(16)33-24(28)38)17(12-31)23(32)36(20)25-34-35-26(40-25)39-13-14-5-3-4-6-18(14)29/h3-9H,10-11,13,32H2,1-2H3,(H,33,38)InChIKey
NWLXVYXDALNFFA-UHFFFAOYSA-NSynonyms
2amino1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)5fluoro77dimethyl25dioxo125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino1(5((2chlorophenyl)methylsulfanyl)134thiadiazol2yl)5fluoro77dimethyl25dioxospiro(1Hindole3468dihydroquinoline)3carbonitrile
CC1(CC2=C(C(=O)C1)C3(C4=C(C=CC(=C4)F)NC3=O)C(=C(N2C5=NN=C(S5)SCC6=CC=CC=C6Cl)N)C#N)C
InChI=1SC28H22ClFN6O2S2c127(2)102022(21(37)1127)28(16915(30)7819(16)3324(28)38)17(1231)23(32)36(20)25343526(4025)391314534618(14)29h39H10111332H212H3(H3338)
MFCD05857042
ZINC000098007280
ZINC000098007281
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