Vitas-M small molecule compound
(5E)-1-(3-methoxyphenyl)-2-sulfanyl-5-(2,4,5-trimethoxybenzylidene)pyrimidine-4,6(1H,5H)-dione
Catalog ID
STK846479
SMILES COc1cccc(c1)N1C(=NC(=O)/C(=C\c2cc(OC)c(cc2OC)OC)/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 C21H20N2O6S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6S/c1-26-14-7-5-6-13(10-14)23-20(25)15(19(24)22-21(23)30)8-12-9-17(28-3)18(29-4)11-16(12)27-2/h5-11H,1-4H3,(H,22,24,30)/b15-8+InChIKey
RSCIBTAXPDYOAF-OVCLIPMQSA-NSynonyms
(5E)1(3methoxyphenyl)2sulfanyl5(245trimethoxybenzylidene)pyrimidine46(1H5H)dione
(5E)1(3METHOXYPHENYL)2SULFANYLIDENE5((245TRIMETHOXYPHENYL)METHYLIDENE)13DIAZINANE46DIONE
COC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3OC)OC)OC)C(=O)NC2=S
COc1cccc(c1)N1C(=NC(=O)C(=Cc2cc(OC)c(cc2OC)OC)C1=O)S
InChI=1SC21H20N2O6Sc1261475613(1014)2320(25)15(19(24)2221(23)30)812917(283)18(294)1116(12)272h511H14H3(H222430)b158+
MFCD03802726
ZINC000001241670
ZINC1241670
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