Vitas-M small molecule compound
(5E)-1-methyl-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187506
SMILES CN1C(=S)NC(=O)/C(=C\c2cccn2c2ccc(cc2)[N+](=O)[O-])/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 C16H12N4O4S MW 356.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N4O4S/c1-18-15(22)13(14(21)17-16(18)25)9-12-3-2-8-19(12)10-4-6-11(7-5-10)20(23)24/h2-9H,1H3,(H,17,21,25)/b13-9+InChIKey
PSNRJYZJYBQTKJ-UKTHLTGXSA-NSynonyms
(5E)1METHYL5((1(4NITROPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1methyl5((1(4nitrophenyl)pyrrol2yl)methylidene)2sulfanylidene13diazinane46dione
CN1C(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)(N+)(=O)(O))C(=O)NC1=S
CN1C(=S)NC(=O)C(=Cc2cccn2c2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC16H12N4O4Sc11815(22)13(14(21)1716(18)25)91232819(12)104611(7510)20(23)24h29H1H3(H172125)b139+
MFCD03650415
ZINC000004092095
ZINC4092095
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