Vitas-M small molecule compound
1-hexyl-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
STL513878
SMILES CCCCCCN1C(=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 C27H31N3O4S MW 493.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4S/c1-3-4-5-6-13-30-25(32)21(24(31)28-27(30)35)15-20-16(2)19-14-17-9-7-11-29-12-8-10-18(22(17)29)23(19)34-26(20)33/h14-15H,3-13H2,1-2H3,(H,28,31,35)/b21-15+InChIKey
UGYFZLFCUWBMQL-RCCKNPSSSA-NSynonyms
1hexyl5((9methyl11oxo2356711hexahydro1Hpyrano(23f)pyrido(321ij)quinolin10yl)methylene)2thioxodihydropyrimidine46(1H5H)dione
1hexyl5((9methyl11oxo2367tetrahydro1H5H11Hpyrano(23f)pyrido(321ij)quinolin10yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
CCCCCCN1C(=S)NC(=O)C(=Cc2c(=O)oc3c(c2C)cc2c4c3CCCN4CCC2)C1=O
InChI=1SC27H31N3O4Sc13456133025(32)21(24(31)2827(30)35)152016(2)1914179711291281018(22(17)29)23(19)3426(20)33h1415H313H212H3(H283135)b2115+
MFCD03661199
ZINC000008964858
ZINC000009087049
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