Vitas-M small molecule compound
1-(4-methylphenyl)-2,5-dioxo-N-(2-oxotetrahydrothiophen-3-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL345358
SMILES O=C1SCCC1NC(=O)c1cc2C(=O)CCCc2n(c1=O)c1ccc(cc1)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 C21H20N2O4S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4S/c1-12-5-7-13(8-6-12)23-17-3-2-4-18(24)14(17)11-15(20(23)26)19(25)22-16-9-10-28-21(16)27/h5-8,11,16H,2-4,9-10H2,1H3,(H,22,25)InChIKey
HRHGDWQWCSCTFG-UHFFFAOYSA-NSynonyms
1(4methylphenyl)25dioxoN(2oxotetrahydrothiophen3yl)125678hexahydroquinoline3carboxamide
1(4METHYLPHENYL)25DIOXON(2OXOTHIOLAN3YL)78DIHYDRO6HQUINOLINE3CARBOXAMIDE
25dioxoN(2oxotetrahydrothiophen3yl)1(ptolyl)125678hexahydroquinoline3carboxamidehydrochloride
CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NC4CCSC4=O)C(=O)CCC3
InChI=1SC21H20N2O4Sc1125713(8612)231732418(24)14(17)1115(20(23)26)19(25)22169102821(16)27h581116H24910H21H3(H2225)
MFCD03008440
O=C1SCCC1NC(=O)c1cc2C(=O)CCCc2n(c1=O)c1ccc(cc1)CCl
ZINC000001113428
ZINC000001113430
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