Vitas-M small molecule compound
methyl 9,9-dimethyl-6-[4-(methylsulfanyl)phenyl]-4,7-dioxo-2,3,4,6,7,8,9,10-octahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
Catalog ID
STK285044
SMILES CSc1ccc(cc1)C1C(=C2C(=O)NCCN2C2=C1C(=O)CC(C2)(C)C)C(=O)OC
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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 C23H26N2O4S MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O4S/c1-23(2)11-15-18(16(26)12-23)17(13-5-7-14(30-4)8-6-13)19(22(28)29-3)20-21(27)24-9-10-25(15)20/h5-8,17H,9-12H2,1-4H3,(H,24,27)InChIKey
MYKHFMBNRGHREZ-UHFFFAOYSA-NSynonyms
908544-07-0908544070
CC1(CC2=C(C(C(=C3N2CCNC3=O)C(=O)OC)C4=CC=C(C=C4)SC)C(=O)C1)C
InChI=1SC23H26N2O4Sc123(2)111518(16(26)1223)17(135714(304)8613)19(22(28)293)2021(27)2491025(15)20h5817H912H214H3(H2427)
methyl99dimethyl6(4(methylsulfanyl)phenyl)47dioxo234678910octahydro1Hpyrazino(12a)quinoline5carboxylate
methyl99dimethyl6(4(methylthio)phenyl)47dioxo234678910octahydro1Hpyrazino(12a)quinoline5carboxylate
methyl99dimethyl6(4methylsulfanylphenyl)47dioxo1236810hexahydropyrazino(12a)quinoline5carboxylate
MFCD08592371
ZINC000009575302
ZINC000009575303
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