Vitas-M small molecule compound
2'-amino-5-methyl-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
STK778587
SMILES C=CCSc1nnc(s1)N1C(=C(C#N)C2(C3=C1CCCC3=O)C(=O)Nc1c2cc(C)cc1)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 C23H20N6O2S2 MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N6O2S2/c1-3-9-32-22-28-27-21(33-22)29-16-5-4-6-17(30)18(16)23(14(11-24)19(29)25)13-10-12(2)7-8-15(13)26-20(23)31/h3,7-8,10H,1,4-6,9,25H2,2H3,(H,26,31)InChIKey
DLSYNXCCKARVHO-UHFFFAOYSA-NSynonyms
2amino5methyl25dioxo1(5(prop2en1ylsulfanyl)134thiadiazol2yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino5methyl25dioxo1(5prop2enylsulfanyl134thiadiazol2yl)spiro(1Hindole3478dihydro6Hquinoline)3carbonitrile
CC1=CC2=C(C=C1)NC(=O)C23C(=C(N(C4=C3C(=O)CCC4)C5=NN=C(S5)SCC=C)N)C#N
InChI=1SC23H20N6O2S2c1393222282721(3322)291654617(30)18(16)23(14(1124)19(29)25)131012(2)7815(13)2620(23)31h37810H146925H22H3(H2631)
MFCD05856841
ZINC000012462562
ZINC000012462563
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