Vitas-M small molecule compound
5-{2-[2-(4-nitrophenoxy)ethoxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK083868
SMILES S=C1NC(=O)C(=Cc2ccccc2OCCOc2ccc(cc2)[N+](=O)[O-])C(=O)N1
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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/c23-17-15(18(24)21-19(29)20-17)11-12-3-1-2-4-16(12)28-10-9-27-14-7-5-13(6-8-14)22(25)26/h1-8,11H,9-10H2,(H2,20,21,23,24,29)InChIKey
GVPSAYCJUWMKSM-UHFFFAOYSA-NSynonyms
5((2(2(4NITROPHENOXY)ETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(2(2(4NITROPHENOXY)ETHOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C1=CC=C(C(=C1)C=C2C(=O)NC(=S)NC2=O)OCCOC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H15N3O6Sc231715(18(24)2119(29)2017)1112312416(12)2810927147513(6814)22(25)26h1811H910H2(H22021232429)
MFCD02017816
S=C1NC(=O)C(=Cc2ccccc2OCCOc2ccc(cc2)(N+)(=O)(O))C(=O)N1
STK083868
ZINC000002946925
ZINC2946925
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