Vitas-M small molecule compound
2'-amino-6-chloro-1'-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-7-methyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK684932
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccccc2Cl)C2=C(C31C(=O)Nc1c3ccc(c1C)Cl)C(=O)CCC2
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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 C27H20Cl2N6O2S2 MW 595.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20Cl2N6O2S2/c1-13-17(28)10-9-15-22(13)32-24(37)27(15)16(11-30)23(31)35(19-7-4-8-20(36)21(19)27)25-33-34-26(39-25)38-12-14-5-2-3-6-18(14)29/h2-3,5-6,9-10H,4,7-8,12,31H2,1H3,(H,32,37)InChIKey
RJGVKGVZGKRFSS-UHFFFAOYSA-NSynonyms
2amino6chloro1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)7methyl25dioxo125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino6chloro1(5((2chlorophenyl)methylsulfanyl)134thiadiazol2yl)7methyl25dioxospiro(1Hindole3478dihydro6Hquinoline)3carbonitrile
CC1=C(C=CC2=C1NC(=O)C23C(=C(N(C4=C3C(=O)CCC4)C5=NN=C(S5)SCC6=CC=CC=C6Cl)N)C#N)Cl
InChI=1SC27H20Cl2N6O2S2c11317(28)1091522(13)3224(37)27(15)16(1130)23(31)35(1974820(36)21(19)27)25333426(3925)381214523618(14)29h2356910H4781231H21H3(H3237)
MFCD05856593
ZINC000098007213
ZINC000098007214
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