Vitas-M small molecule compound
5-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK712149
SMILES COc1cc(ccc1c1ccc(o1)C=C1C(=O)NC(=S)NC1=O)[N+](=O)[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 C16H11N3O6S MW 373.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O6S/c1-24-13-6-8(19(22)23)2-4-10(13)12-5-3-9(25-12)7-11-14(20)17-16(26)18-15(11)21/h2-7H,1H3,(H2,17,18,20,21,26)InChIKey
OKBPBDRXMIFKLW-UHFFFAOYSA-NSynonyms
5((5(2METHOXY4NITROPHENYL)(2FURYL))METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
5((5(2METHOXY4NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5((5(2methoxy4nitrophenyl)furan2yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
COC1=C(C=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O
COc1cc(ccc1c1ccc(o1)C=C1C(=O)NC(=S)NC1=O)(N+)(=O)(O)
InChI=1SC16H11N3O6Sc1241368(19(22)23)2410(13)12539(2512)71114(20)1716(26)1815(11)21h27H1H3(H21718202126)
MFCD00613023
ZINC000003210706
ZINC3210706
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