Vitas-M small molecule compound
2-amino-4-(5-tert-butylthiophen-2-yl)-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK778511
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)C(C)(C)C)C(=O)CCC2)c1nnc(s1)SC(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 C23H27N5OS3 MW 485.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5OS3/c1-12(2)30-22-27-26-21(32-22)28-14-7-6-8-15(29)19(14)18(13(11-24)20(28)25)16-9-10-17(31-16)23(3,4)5/h9-10,12,18H,6-8,25H2,1-5H3InChIKey
DDZPOSGAXPAJMW-UHFFFAOYSA-NSynonyms
2amino4(5tertbutylthiophen2yl)5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2amino4(5tertbutylthiophen2yl)5oxo1(5propan2ylsulfanyl134thiadiazol2yl)4678tetrahydroquinoline3carbonitrile
CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)C(C)(C)C)C(=O)CCC3
InChI=1SC23H27N5OS3c112(2)3022272621(3222)281476815(29)19(14)18(13(1124)20(28)25)1691017(3116)23(34)5h9101218H6825H215H3
MFCD05856722
ZINC000012401681
ZINC000012401682
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