Vitas-M small molecule compound

(5E)-1-methyl-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK067186
SMILES CN1C(=S)NC(=O)/C(=C\c2cccn2c2cccc(c2)[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)9-11-6-3-7-19(11)10-4-2-5-12(8-10)20(23)24/h2-9H,1H3,(H,17,21,25)/b13-9+
InChIKey
ZFAUPOBHOLSRRW-UKTHLTGXSA-N
Synonyms
573935-22-5
(5E)1METHYL5((1(3NITROPHENYL)1HPYRROL2YL)METHYLIDENE)2SULFANYLPYRIMIDINE46(1H5H)DIONE
(5E)1METHYL5((1(3NITROPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1METHYL5((1(3NITROPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(E)1methyl5((1(3nitrophenyl)1Hpyrrol2yl)methylene)2thioxodihydropyrimidine46(1H5H)dione
CN1C(=O)C(=CC2=CC=CN2C3=CC(=CC=C3)(N+)(=O)(O))C(=O)NC1=S
CN1C(=S)NC(=O)C(=Cc2cccn2c2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC16H12N4O4Sc11815(22)13(14(21)1716(18)25)91163719(11)1042512(810)20(23)24h29H1H3(H172125)b139+
MFCD04020003
STK067186
ZINC000002207123
ZINC2207123

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Available files

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