Vitas-M small molecule compound
ethyl 2-methyl-4-(4-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK781273
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1scc(c1)CSc1nccn1C)C(=O)CCC2
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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 C22H25N3O3S2 MW 443.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S2/c1-4-28-21(27)18-13(2)24-15-6-5-7-16(26)19(15)20(18)17-10-14(11-29-17)12-30-22-23-8-9-25(22)3/h8-11,20,24H,4-7,12H2,1-3H3InChIKey
BWCYWHJEHOJVJI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC(=CS3)CSC4=NC=CN4C)C(=O)CCC2)C
ethyl2methyl4(4(((1methyl1Himidazol2yl)sulfanyl)methyl)thiophen2yl)5oxo145678hexahydroquinoline3carboxylate
ethyl2methyl4(4((1methylimidazol2yl)sulfanylmethyl)thiophen2yl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC22H25N3O3S2c142821(27)1813(2)241565716(26)19(15)20(18)171014(112917)123022238925(22)3h8112024H4712H213H3
MFCD06014785
ZINC000019874557
ZINC000019874559
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