Vitas-M small molecule compound
2'-amino-1'-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1-methyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK684908
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccccc2Cl)C2=C(C31c1ccccc1N(C3=O)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 C27H21ClN6O2S2 MW 561.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN6O2S2/c1-33-19-10-5-3-8-16(19)27(24(33)36)17(13-29)23(30)34(20-11-6-12-21(35)22(20)27)25-31-32-26(38-25)37-14-15-7-2-4-9-18(15)28/h2-5,7-10H,6,11-12,14,30H2,1H3InChIKey
PJZDWKRQKVJBPD-UHFFFAOYSA-NSynonyms
2amino1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)1methyl25dioxo125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2AMINO1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)1METHYL25DIOXOSPIRO(78DIHYDRO6HQUINOLINE43INDOLE)3CARBONITRILE
CN1C2=CC=CC=C2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)C5=NN=C(S5)SCC6=CC=CC=C6Cl)N)C#N
InChI=1SC27H21ClN6O2S2c133191053816(19)27(24(33)36)17(1329)23(30)34(201161221(35)22(20)27)25313226(3825)371415724918(15)28h25710H611121430H21H3
MFCD05856535
ZINC000098007195
ZINC000098007196
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