Vitas-M small molecule compound
(5E)-1-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190029
SMILES CN1C(=S)NC(=O)/C(=C\c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])C)/C1=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 C17H13N3O5S MW 371.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5S/c1-9-3-4-10(7-13(9)20(23)24)14-6-5-11(25-14)8-12-15(21)18-17(26)19(2)16(12)22/h3-8H,1-2H3,(H,18,21,26)/b12-8+InChIKey
WUAFYNJXDNMZTF-XYOKQWHBSA-NSynonyms
(5E)1METHYL5((5(4METHYL3NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1METHYL5((5(4METHYL3NITROPHENYL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C)(N+)(=O)(O)
CN1C(=S)NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2)(N+)(=O)(O))C)C1=O
InChI=1SC17H13N3O5Sc193410(713(9)20(23)24)146511(2514)81215(21)1817(26)19(2)16(12)22h38H12H3(H182126)b128+
MFCD03226911
ZINC000004724058
ZINC4724058
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