Vitas-M small molecule compound
1,3-diethyl-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191608
SMILES CCN1C(=O)C(=Cc2cc(cc(c2O)OC)[N+](=O)[O-])C(=O)N(C1=S)CC
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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 C16H17N3O6S MW 379.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O6S/c1-4-17-14(21)11(15(22)18(5-2)16(17)26)7-9-6-10(19(23)24)8-12(25-3)13(9)20/h6-8,20H,4-5H2,1-3H3InChIKey
PTFWAAVEQWXDFG-UHFFFAOYSA-NSynonyms
13DIETHYL5((2HYDROXY3METHOXY5NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
13DIETHYL5(2HYDROXY3METHOXY5NITROBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCN1C(=O)C(=CC2=CC(=CC(=C2O)OC)(N+)(=O)(O))C(=O)N(C1=S)CC
CCN1C(=O)C(=Cc2cc(cc(c2O)OC)(N+)(=O)(O))C(=O)N(C1=S)CC
InChI=1SC16H17N3O6Sc141714(21)11(15(22)18(52)16(17)26)79610(19(23)24)812(253)13(9)20h6820H45H213H3
MFCD02212976
ZINC000005576598
ZINC05576598
ZINC5576598
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