Vitas-M small molecule compound
2'-amino-6-chloro-1'-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-7,7',7'-trimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK683625
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccccc2Cl)C2=C(C31C(=O)Nc1c3ccc(c1C)Cl)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 C29H24Cl2N6O2S2 MW 623.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24Cl2N6O2S2/c1-14-18(30)9-8-16-23(14)34-25(39)29(16)17(12-32)24(33)37(20-10-28(2,3)11-21(38)22(20)29)26-35-36-27(41-26)40-13-15-6-4-5-7-19(15)31/h4-9H,10-11,13,33H2,1-3H3,(H,34,39)InChIKey
QOEIIPUXMPMBBG-UHFFFAOYSA-NSynonyms
2amino6chloro1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)777trimethyl25dioxo125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino6chloro1(5((2chlorophenyl)methylsulfanyl)134thiadiazol2yl)777trimethyl25dioxospiro(1Hindole3468dihydroquinoline)3carbonitrile
CC1=C(C=CC2=C1NC(=O)C23C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=NN=C(S5)SCC6=CC=CC=C6Cl)N)C#N)Cl
InChI=1SC29H24Cl2N6O2S2c11418(30)981623(14)3425(39)29(16)17(1232)24(33)37(201028(23)1121(38)22(20)29)26353627(4126)401315645719(15)31h49H10111333H213H3(H3439)
MFCD05258415
ZINC000098006155
ZINC000098006156
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