Vitas-M small molecule compound
5-{3-methoxy-2-[(4-nitrobenzyl)oxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL417275
SMILES COc1cccc(c1OCc1ccc(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 C19H15N3O6S MW 413.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O6S/c1-27-15-4-2-3-12(9-14-17(23)20-19(29)21-18(14)24)16(15)28-10-11-5-7-13(8-6-11)22(25)26/h2-9H,10H2,1H3,(H2,20,21,23,24,29)InChIKey
HYJVUKYYPMRYIG-UHFFFAOYSA-NSynonyms
5((3METHOXY2((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3methoxy2((4nitrobenzyl)oxy)benzylidene)2thioxodihydropyrimidine46(1H5H)dione
COC1=CC=CC(=C1OCC2=CC=C(C=C2)(N+)(=O)(O))C=C3C(=O)NC(=S)NC3=O
COc1cccc(c1OCc1ccc(cc1)(N+)(=O)(O))C=C1C(=O)NC(=S)NC1=O
InChI=1SC19H15N3O6Sc1271542312(91417(23)2019(29)2118(14)24)16(15)2810115713(8611)22(25)26h29H10H21H3(H22021232429)
MFCD03719990
ZINC000002826811
ZINC2826811
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