Vitas-M small molecule compound
1,3-dimethyl-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188126
SMILES S=C1N(C)C(=O)C(=Cc2ccc(cc2)OCc2cccc(c2)[N+](=O)[O-])C(=O)N1C
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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)11-13-6-8-16(9-7-13)28-12-14-4-3-5-15(10-14)23(26)27/h3-11H,12H2,1-2H3InChIKey
LDIZICDPXGEELU-UHFFFAOYSA-NSynonyms
13DIMETHYL5((4((3NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
13DIMETHYL5(4((3NITROBENZYL)OXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC(=CC=C3)(N+)(=O)(O))C(=O)N(C1=S)C
InChI=1SC20H17N3O5Sc12118(24)17(19(25)22(2)20(21)29)11136816(9713)28121443515(1014)23(26)27h311H12H212H3
MFCD02624220
S=C1N(C)C(=O)C(=Cc2ccc(cc2)OCc2cccc(c2)(N+)(=O)(O))C(=O)N1C
ZINC000001185909
ZINC01185909
ZINC1185909
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