Vitas-M small molecule compound
5-{3-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL416337
SMILES CCOc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])C=C1C(=O)NC(=S)NC1=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 C20H17N3O6S MW 427.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O6S/c1-2-28-17-10-13(9-15-18(24)21-20(30)22-19(15)25)5-8-16(17)29-11-12-3-6-14(7-4-12)23(26)27/h3-10H,2,11H2,1H3,(H2,21,22,24,25,30)InChIKey
PYXIFPZJMHQUMN-UHFFFAOYSA-NSynonyms
5((3ETHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
5((3ETHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3ethoxy4((4nitrobenzyl)oxy)benzylidene)2thioxodihydropyrimidine46(1H5H)dione
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OCC3=CC=C(C=C3)(N+)(=O)(O)
CCOc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=C1C(=O)NC(=S)NC1=O
InChI=1SC20H17N3O6Sc1228171013(91518(24)2120(30)2219(15)25)5816(17)2911123614(7412)23(26)27h310H211H21H3(H22122242530)
MFCD00763684
ZINC000002771629
ZINC2771629
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