Vitas-M small molecule compound
(5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187899
SMILES CCOc1cccc(c1)N1C(=S)NC(=O)/C(=C/c2cc(OC)c(cc2[N+](=O)[O-])OC)/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 C21H19N3O7S MW 457.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O7S/c1-4-31-14-7-5-6-13(10-14)23-20(26)15(19(25)22-21(23)32)8-12-9-17(29-2)18(30-3)11-16(12)24(27)28/h5-11H,4H2,1-3H3,(H,22,25,32)/b15-8-InChIKey
LODUDLILDXDUND-NVNXTCNLSA-NSynonyms
348596-49-6(5Z)5((45DIMETHOXY2NITROPHENYL)METHYLIDENE)1(3ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(45DIMETHOXY2NITROBENZYLIDENE)1(3ETHOXYPHENYL)2SULFANYLPYRIMIDINE46(1H5H)DIONE
(5Z)5(45DIMETHOXY2NITROBENZYLIDENE)1(3ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(Z)5(45dimethoxy2nitrobenzylidene)1(3ethoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
348596496
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3(N+)(=O)(O))OC)OC)C(=O)NC2=S
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(OC)c(cc2(N+)(=O)(O))OC)C1=O
InChI=1SC21H19N3O7Sc14311475613(1014)2320(26)15(19(25)2221(23)32)812917(292)18(303)1116(12)24(27)28h511H4H213H3(H222532)b158
MFCD02623751
ZINC09462137
ZINC9462137
Check stock
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Check stock on Vitas-MAvailable files
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