Vitas-M small molecule compound
1,3-dimethyl-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188123
SMILES CN1C(=S)N(C)C(=O)C(=Cc2ccc(cc2)OCc2ccc(cc2)[N+](=O)[O-])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 C20H17N3O5S MW 411.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5S/c1-21-18(24)17(19(25)22(2)20(21)29)11-13-5-9-16(10-6-13)28-12-14-3-7-15(8-4-14)23(26)27/h3-11H,12H2,1-2H3InChIKey
YHPQMLKDRVBEBX-UHFFFAOYSA-NSynonyms
426237-22-113DIMETHYL5((4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
13DIMETHYL5(4((4NITROBENZYL)OXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
426237221
CN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)(N+)(=O)(O))C(=O)N(C1=S)C
CN1C(=S)N(C)C(=O)C(=Cc2ccc(cc2)OCc2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC20H17N3O5Sc12118(24)17(19(25)22(2)20(21)29)11135916(10613)2812143715(8414)23(26)27h311H12H212H3
MFCD02608795
ZINC000001186484
ZINC01186484
ZINC1186484
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