Vitas-M small molecule compound
(5E)-5-[(2E)-2-(2,2-dimethyl-6-phenyl-4H-1,3-dioxin-4-ylidene)ethylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Catalog ID
STL044961
SMILES SC1=NC(=O)/C(=C/C=C/2\C=C(OC(O2)(C)C)c2ccccc2)/C(=N1)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 C18H16N2O4S MW 356.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4S/c1-18(2)23-12(10-14(24-18)11-6-4-3-5-7-11)8-9-13-15(21)19-17(25)20-16(13)22/h3-10H,1-2H3,(H2,19,20,21,22,25)/b12-8+InChIKey
KITMJZYLOXZDLS-XYOKQWHBSA-NSynonyms
(5E)5((2E)2(22dimethyl6phenyl4H13dioxin4ylidene)ethylidene)6hydroxy2sulfanylpyrimidin4(5H)one
5((2E)2(22DIMETHYL6PHENYL13DIOXIN4YLIDENE)ETHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1(OC(=CC(=CC=C2C(=O)NC(=S)NC2=O)O1)C3=CC=CC=C3)C
InChI=1SC18H16N2O4Sc118(2)2312(1014(2418)116435711)891315(21)1917(25)2016(13)22h310H12H3(H21920212225)b128+
MFCD04078891
SC1=NC(=O)C(=CC=C2C=C(OC(O2)(C)C)c2ccccc2)C(=N1)O
ZINC000004464592
ZINC04464592
ZINC4464592
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