Vitas-M small molecule compound
1-ethyl-5-[(9-methyl-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL521058
SMILES CCN1C(=S)NC(=O)/C(=C\c2c(=O)oc3c(c2C)cc2c4c3CCCN4CCC2)/C1=O
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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 C23H23N3O4S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O4S/c1-3-26-21(28)17(20(27)24-23(26)31)11-16-12(2)15-10-13-6-4-8-25-9-5-7-14(18(13)25)19(15)30-22(16)29/h10-11H,3-9H2,1-2H3,(H,24,27,31)/b17-11-InChIKey
FDTAWLVUSFQGGJ-BOPFTXTBSA-NSynonyms
1ethyl5((9methyl11oxo2356711hexahydro1Hpyrano(23f)pyrido(321ij)quinolin10yl)methylene)2thioxodihydropyrimidine46(1H5H)dione
1ethyl5((9methyl11oxo2367tetrahydro1H5H11Hpyrano(23f)pyrido(321ij)quinolin10yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
CCN1C(=S)NC(=O)C(=Cc2c(=O)oc3c(c2C)cc2c4c3CCCN4CCC2)C1=O
InChI=1SC23H23N3O4Sc132621(28)17(20(27)2423(26)31)111612(2)1510136482595714(18(13)25)19(15)3022(16)29h1011H39H212H3(H242731)b1711
MFCD04142824
ZINC000002154027
ZINC000008974070
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