Vitas-M small molecule compound
2'-amino-1,7',7'-trimethyl-2,5'-dioxo-1'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK684910
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C(F)(F)F)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 C30H25F3N6O2S2 MW 622.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25F3N6O2S2/c1-28(2)12-21-23(22(40)13-28)29(18-9-4-5-10-20(18)38(3)25(29)41)19(14-34)24(35)39(21)26-36-37-27(43-26)42-15-16-7-6-8-17(11-16)30(31,32)33/h4-11H,12-13,15,35H2,1-3H3InChIKey
JCKUDIXTAWTFME-UHFFFAOYSA-NSynonyms
2amino177trimethyl25dioxo1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2AMINO177TRIMETHYL25DIOXO1(5((3(TRIFLUOROMETHYL)PHENYL)METHYLSULFANYL)134THIADIAZOL2YL)SPIRO(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=C6)C(F)(F)F)N)C#N)C
InChI=1SC30H25F3N6O2S2c128(2)122123(22(40)1328)29(189451020(18)38(3)25(29)41)19(1434)24(35)39(21)26363727(4326)42151676817(1116)30(3132)33h411H12131535H213H3
MFCD05856538
ZINC000098007199
ZINC000098007200
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