Vitas-M small molecule compound
(5E)-5-{[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-ethyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK575345
SMILES CCN1C(=NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2C)[N+](=O)[O-])C)/C1=O)S
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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 C20H20N4O4S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S/c1-5-22-19(26)16(18(25)21-20(22)29)10-14-9-12(3)23(13(14)4)17-7-6-15(24(27)28)8-11(17)2/h6-10H,5H2,1-4H3,(H,21,25,29)/b16-10+InChIKey
DJPAWGWQVLRQBD-MHWRWJLKSA-NSynonyms
(5E)5((25dimethyl1(2methyl4nitrophenyl)1Hpyrrol3yl)methylidene)1ethyl2sulfanylpyrimidine46(1H5H)dione
(5E)5((25DIMETHYL1(2METHYL4NITROPHENYL)PYRROL3YL)METHYLIDENE)1ETHYL2SULFANYLIDENE13DIAZINANE46DIONE
CCN1C(=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2C)(N+)(=O)(O))C)C1=O)S
InChI=1SC20H20N4O4Sc152219(26)16(18(25)2120(22)29)1014912(3)23(13(14)4)177615(24(27)28)811(17)2h610H5H214H3(H212529)b1610+
MFCD07208180
ZINC000009012605
ZINC9012605
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