Vitas-M small molecule compound
2'-amino-1'-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-7',7'-dimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK683626
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccc(cc2)Cl)C2=C(C31C(=O)Nc1c3cccc1)C(=O)CC(C2)(C)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H23ClN6O2S2 MW 575.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN6O2S2/c1-27(2)11-20-22(21(36)12-27)28(17-5-3-4-6-19(17)32-24(28)37)18(13-30)23(31)35(20)25-33-34-26(39-25)38-14-15-7-9-16(29)10-8-15/h3-10H,11-12,14,31H2,1-2H3,(H,32,37)InChIKey
AVYRPBLPUPVCOI-UHFFFAOYSA-NSynonyms
2amino1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)77dimethyl25dioxo125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino1(5((4chlorophenyl)methylsulfanyl)134thiadiazol2yl)77dimethyl25dioxospiro(1Hindole3468dihydroquinoline)3carbonitrile
CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4NC3=O)C(=C(N2C5=NN=C(S5)SCC6=CC=C(C=C6)Cl)N)C#N)C
InChI=1SC28H23ClN6O2S2c127(2)112022(21(36)1227)28(17534619(17)3224(28)37)18(1330)23(31)35(20)25333426(3925)3814157916(29)10815h310H11121431H212H3(H3237)
MFCD05258416
ZINC000098006157
ZINC000098006158
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