Vitas-M small molecule compound
(5Z)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-1-(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197516
SMILES COc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c2ccccc2C)cc(c1O)[N+](=O)[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 C19H15N3O6S MW 413.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O6S/c1-10-5-3-4-6-13(10)21-18(25)12(17(24)20-19(21)29)7-11-8-14(22(26)27)16(23)15(9-11)28-2/h3-9,23H,1-2H3,(H,20,24,29)/b12-7-InChIKey
RIUTVPMKUXSEDV-GHXNOFRVSA-NSynonyms
(5Z)5((4HYDROXY3METHOXY5NITROPHENYL)METHYLIDENE)1(2METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(4HYDROXY3METHOXY5NITROBENZYLIDENE)1(2METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC=CC=C1N2C(=O)C(=CC3=CC(=C(C(=C3)OC)O)(N+)(=O)(O))C(=O)NC2=S
COc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2C)cc(c1O)(N+)(=O)(O)
InChI=1SC19H15N3O6Sc110534613(10)2118(25)12(17(24)2019(21)29)711814(22(26)27)16(23)15(911)282h3923H12H3(H202429)b127
MFCD02905085
ZINC000012363811
ZINC12363811
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