Vitas-M small molecule compound
2'-amino-6-chloro-7,7',7'-trimethyl-2,5'-dioxo-1'-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK684911
SMILES C=CCSc1nnc(s1)N1C(=C(C#N)C2(C3=C1CC(C)(C)CC3=O)C(=O)Nc1c2ccc(c1C)Cl)N
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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 C25H23ClN6O2S2 MW 539.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN6O2S2/c1-5-8-35-23-31-30-22(36-23)32-16-9-24(3,4)10-17(33)18(16)25(14(11-27)20(32)28)13-6-7-15(26)12(2)19(13)29-21(25)34/h5-7H,1,8-10,28H2,2-4H3,(H,29,34)InChIKey
IFRZZFLRRIKMHT-UHFFFAOYSA-NSynonyms
2amino6chloro777trimethyl25dioxo1(5(prop2en1ylsulfanyl)134thiadiazol2yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile2amino6chloro777trimethyl25dioxo1(5prop2enylsulfanyl134thiadiazol2yl)spiro(1Hindole3468dihydroquinoline)3carbonitrile
CC1=C(C=CC2=C1NC(=O)C23C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=NN=C(S5)SCC=C)N)C#N)Cl
Registry IDs
MFCD05856542ZINC000098007201
ZINC000098007202
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