Vitas-M small molecule compound
(5E)-1-(2,5-dimethoxyphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK560216
SMILES COc1ccc(cc1N1C(=NC(=O)/C(=C\c2ccc[nH]2)/C1=O)S)OC
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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 C17H15N3O4S MW 357.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4S/c1-23-11-5-6-14(24-2)13(9-11)20-16(22)12(15(21)19-17(20)25)8-10-4-3-7-18-10/h3-9,18H,1-2H3,(H,19,21,25)/b12-8+InChIKey
NYLJJMRJTBXBAY-XYOKQWHBSA-NSynonyms
(5E)1(25DIMETHOXYPHENYL)5(1HPYRROL2YLMETHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(25dimethoxyphenyl)5(1Hpyrrol2ylmethylidene)2sulfanylpyrimidine46(1H5H)dione
COC1=CC(=C(C=C1)OC)N2C(=O)C(=CC3=CC=CN3)C(=O)NC2=S
COc1ccc(cc1N1C(=NC(=O)C(=Cc2ccc(nH)2)C1=O)S)OC
InChI=1SC17H15N3O4Sc123115614(242)13(911)2016(22)12(15(21)1917(20)25)8104371810h3918H12H3(H192125)b128+
MFCD03810652
ZINC000002287528
ZINC2287528
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